Project ID: plumID:23.017
Source: QM-MM_MD/34atomsCV/plumed.dat
Originally used with PLUMED version: 2.9
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
UNITSThis command sets the internal units for the code. More detailsLENGTH=A a_1_1:the units of lengthsCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=3026Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_2:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=3027Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_3:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=3605Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_4:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=3606Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_5:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=3607Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_6:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7678Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_7:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7679Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_8:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7681Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_9:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7683Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_10:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7684Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_11:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7685Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_12:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_1_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3026First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_2_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_2the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_2_2:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=3027Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_3:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=3605Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_4:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=3606Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_5:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=3607Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_6:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7678Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_7:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7679Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_8:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7681Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_9:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7683Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_10:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7684Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_11:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7685Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_12:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_2_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3027First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_3_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_3the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_3_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_3the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_3_3:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=3605Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_4:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=3606Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_5:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=3607Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_6:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7678Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_7:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7679Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_8:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7681Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_9:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7683Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_10:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7684Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_11:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7685Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_12:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_3_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3605First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_4_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_4the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_4_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_4the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_4_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_4the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_4_4:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=3606Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_5:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=3607Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_6:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7678Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_7:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7679Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_8:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7681Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_9:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7683Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_10:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7684Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_11:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7685Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_12:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_4_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3606First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_5_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_5the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_5_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_5the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_5_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_5the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_5_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_5the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_5_5:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=3607Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_6:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7678Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_7:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7679Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_8:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7681Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_9:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7683Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_10:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7684Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_11:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7685Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_12:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_5_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=3607First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_6_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_6the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_6_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_6the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_6_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_6the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_6_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_6the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_6_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_6the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_6_6:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7678Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_7:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7679Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_8:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7681Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_9:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7683Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_10:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7684Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_11:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7685Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_12:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_6_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7678First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_7_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_7the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_7_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_7the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_7_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_7the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_7_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_7the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_7_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_7the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_7_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_7the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_7_7:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7679Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_8:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7681Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_9:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7683Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_10:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7684Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_11:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7685Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_12:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_7_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7679First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_8_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_8the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_8_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_8the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_8_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_8the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_8_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_8the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_8_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_8the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_8_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_8the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_8_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_8the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_8_8:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7681Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_9:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7683Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_10:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7684Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_11:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7685Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_12:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_8_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7681First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_9_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_9the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_9_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_9the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_9_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_9the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_9_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_9the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_9_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_9the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_9_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_9the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_9_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_9the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_9_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_9the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_9_9:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7683Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_10:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7684Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_11:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7685Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_12:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_9_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7683First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_10_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_10the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_10_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_10the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_10_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_10the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_10_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_10the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_10_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_10the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_10_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_10the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_10_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_10the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_10_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_10the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_10_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_10the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_10_10:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7684Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_11:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7685Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_12:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_10_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7684First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_11_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_11the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_11_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_11the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_11_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_11the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_11_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_11the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_11_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_11the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_11_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_11the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_11_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_11the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_11_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_11the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_11_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_11the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_11_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_11the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_11_11:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7685Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_12:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_11_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7685First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_12_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_12the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_12_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_12the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_12_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_12the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_12_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_12the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_12_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_12the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_12_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_12the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_12_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_12the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_12_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_12the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_12_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_12the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_12_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_12the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_12_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_12the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_12_12:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7687Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_13:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_12_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7687First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_13_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_13the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_13_13:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7688Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_14:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_13_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7688First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_14_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_14the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_14_14:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7689Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_15:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_14_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7689First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_15_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_15the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_15_15:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7691Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_16:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_15_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7691First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_16_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_16the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_16_16:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7693Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_17:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_16_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7693First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_17_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_17the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_17_17:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7696Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_18:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_17_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7696First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_18_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_18the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_18_18:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7697Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_19:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_18_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7697First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_19_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_19the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_19_19:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7698Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_20:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_19_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7698First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_20_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_20the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_20_20:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7699Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_21:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_20_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7699First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_21_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_21the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_21_21:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7700Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_22:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_21_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7700First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_22_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_22the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_22_22:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7702Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_23:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_22_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7702First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_23_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_23the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_23_23:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7704Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_23_24:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_23_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_23_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_23_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_23_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_23_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_23_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_23_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_23_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_23_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_23_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7704First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_24_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_23:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_23_24the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_24_24:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7705First list of atomsGROUPB=7705Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_24_25:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7705First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_24_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7705First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_24_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7705First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_24_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7705First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_24_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7705First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_24_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7705First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_24_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7705First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_24_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7705First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_24_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7705First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_24_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7705First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_25_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_23:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_23_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_24:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_24_25the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_25_25:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7706First list of atomsGROUPB=7706Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_25_26:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7706First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_25_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7706First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_25_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7706First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_25_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7706First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_25_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7706First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_25_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7706First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_25_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7706First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_25_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7706First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_25_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7706First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_26_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_23:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_23_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_24:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_24_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_25:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_25_26the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_26_26:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7708First list of atomsGROUPB=7708Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_26_27:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7708First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_26_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7708First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_26_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7708First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_26_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7708First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_26_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7708First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_26_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7708First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_26_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7708First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_26_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7708First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_27_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_23:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_23_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_24:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_24_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_25:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_25_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_26:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_26_27the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_27_27:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7709First list of atomsGROUPB=7709Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_27_28:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7709First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_27_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7709First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_27_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7709First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_27_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7709First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_27_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7709First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_27_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7709First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_27_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7709First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_28_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_23:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_23_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_24:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_24_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_25:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_25_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_26:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_26_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_27:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_27_28the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_28_28:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7710First list of atomsGROUPB=7710Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_28_29:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7710First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_28_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7710First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_28_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7710First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_28_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7710First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_28_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7710First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_28_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7710First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_29_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_23:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_23_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_24:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_24_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_25:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_25_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_26:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_26_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_27:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_27_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_28:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_28_29the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_29_29:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7712First list of atomsGROUPB=7712Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_29_30:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7712First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_29_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7712First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_29_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7712First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_29_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7712First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_29_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7712First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_30_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_23:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_23_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_24:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_24_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_25:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_25_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_26:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_26_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_27:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_27_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_28:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_28_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_29:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_29_30the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_30_30:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7714First list of atomsGROUPB=7714Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.7The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_30_31:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7714First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_30_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7714First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_30_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7714First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_30_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7714First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.8The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_31_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_23:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_23_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_24:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_24_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_25:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_25_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_26:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_26_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_27:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_27_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_28:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_28_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_29:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_29_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_30:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_30_31the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_31_31:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7717First list of atomsGROUPB=7717Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_31_32:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7717First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_31_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7717First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_31_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7717First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_32_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_23:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_23_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_24:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_24_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_25:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_25_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_26:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_26_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_27:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_27_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_28:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_28_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_29:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_29_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_30:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_30_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_31:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_31_32the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_32_32:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7718First list of atomsGROUPB=7718Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.2The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_32_33:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7718First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_32_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7718First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.4The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_33_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_23:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_23_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_24:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_24_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_25:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_25_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_26:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_26_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_27:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_27_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_28:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_28_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_29:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_29_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_30:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_30_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_31:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_31_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_32:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_32_33the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_33_33:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7719First list of atomsGROUPB=7719Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10 a_33_34:The m parameter of the switching function; 0 implies 2*NNCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7719First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
a_34_1:CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_1_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_2:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_2_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_3:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_3_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_4:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_4_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_5:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_5_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_6:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_6_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_7:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_7_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_8:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_8_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_9:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_9_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_10:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_10_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_11:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_11_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_12:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_12_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_13:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_13_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_14:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_14_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_15:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_15_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_16:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_16_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_17:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_17_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_18:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_18_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_19:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_19_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_20:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_20_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_21:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_21_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_22:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_22_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_23:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_23_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_24:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_24_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_25:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_25_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_26:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_26_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_27:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_27_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_28:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_28_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_29:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_29_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_30:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_30_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_31:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_31_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_32:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_32_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_33:if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=a_33_34the input to this functionFUNC=xthe function you wish to evaluatePERIODIC=NO a_34_34:if the output of your function is periodic then you should specify the periodicity of the functionCOORDINATIONCalculate coordination numbers. More detailsGROUPA=7720First list of atomsGROUPB=7720Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)R_0=1.6The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=10The m parameter of the switching function; 0 implies 2*NN
cv:PYTORCH_MODELLoad a PyTorch model compiled with TorchScript. More detailsFILE=34_cv.ptFilename of the PyTorch compiled modelARG=,a_1_1,a_1_2,a_1_3,a_1_4,a_1_5,a_1_6,a_1_7,a_1_8,a_1_9,a_1_10,a_1_11,a_1_12,a_1_13,a_1_14,a_1_15,a_1_16,a_1_17,a_1_18,a_1_19,a_1_20,a_1_21,a_1_22,a_1_23,a_1_24,a_1_25,a_1_26,a_1_27,a_1_28,a_1_29,a_1_30,a_1_31,a_1_32,a_1_33,a_1_34,a_2_1,a_2_2,a_2_3,a_2_4,a_2_5,a_2_6,a_2_7,a_2_8,a_2_9,a_2_10,a_2_11,a_2_12,a_2_13,a_2_14,a_2_15,a_2_16,a_2_17,a_2_18,a_2_19,a_2_20,a_2_21,a_2_22,a_2_23,a_2_24,a_2_25,a_2_26,a_2_27,a_2_28,a_2_29,a_2_30,a_2_31,a_2_32,a_2_33,a_2_34,a_3_1,a_3_2,a_3_3,a_3_4,a_3_5,a_3_6,a_3_7,a_3_8,a_3_9,a_3_10,a_3_11,a_3_12,a_3_13,a_3_14,a_3_15,a_3_16,a_3_17,a_3_18,a_3_19,a_3_20,a_3_21,a_3_22,a_3_23,a_3_24,a_3_25,a_3_26,a_3_27,a_3_28,a_3_29,a_3_30,a_3_31,a_3_32,a_3_33,a_3_34,a_4_1,a_4_2,a_4_3,a_4_4,a_4_5,a_4_6,a_4_7,a_4_8,a_4_9,a_4_10,a_4_11,a_4_12,a_4_13,a_4_14,a_4_15,a_4_16,a_4_17,a_4_18,a_4_19,a_4_20,a_4_21,a_4_22,a_4_23,a_4_24,a_4_25,a_4_26,a_4_27,a_4_28,a_4_29,a_4_30,a_4_31,a_4_32,a_4_33,a_4_34,a_5_1,a_5_2,a_5_3,a_5_4,a_5_5,a_5_6,a_5_7,a_5_8,a_5_9,a_5_10,a_5_11,a_5_12,a_5_13,a_5_14,a_5_15,a_5_16,a_5_17,a_5_18,a_5_19,a_5_20,a_5_21,a_5_22,a_5_23,a_5_24,a_5_25,a_5_26,a_5_27,a_5_28,a_5_29,a_5_30,a_5_31,a_5_32,a_5_33,a_5_34,a_6_1,a_6_2,a_6_3,a_6_4,a_6_5,a_6_6,a_6_7,a_6_8,a_6_9,a_6_10,a_6_11,a_6_12,a_6_13,a_6_14,a_6_15,a_6_16,a_6_17,a_6_18,a_6_19,a_6_20,a_6_21,a_6_22,a_6_23,a_6_24,a_6_25,a_6_26,a_6_27,a_6_28,a_6_29,a_6_30,a_6_31,a_6_32,a_6_33,a_6_34,a_7_1,a_7_2,a_7_3,a_7_4,a_7_5,a_7_6,a_7_7,a_7_8,a_7_9,a_7_10,a_7_11,a_7_12,a_7_13,a_7_14,a_7_15,a_7_16,a_7_17,a_7_18,a_7_19,a_7_20,a_7_21,a_7_22,a_7_23,a_7_24,a_7_25,a_7_26,a_7_27,a_7_28,a_7_29,a_7_30,a_7_31,a_7_32,a_7_33,a_7_34,a_8_1,a_8_2,a_8_3,a_8_4,a_8_5,a_8_6,a_8_7,a_8_8,a_8_9,a_8_10,a_8_11,a_8_12,a_8_13,a_8_14,a_8_15,a_8_16,a_8_17,a_8_18,a_8_19,a_8_20,a_8_21,a_8_22,a_8_23,a_8_24,a_8_25,a_8_26,a_8_27,a_8_28,a_8_29,a_8_30,a_8_31,a_8_32,a_8_33,a_8_34,a_9_1,a_9_2,a_9_3,a_9_4,a_9_5,a_9_6,a_9_7,a_9_8,a_9_9,a_9_10,a_9_11,a_9_12,a_9_13,a_9_14,a_9_15,a_9_16,a_9_17,a_9_18,a_9_19,a_9_20,a_9_21,a_9_22,a_9_23,a_9_24,a_9_25,a_9_26,a_9_27,a_9_28,a_9_29,a_9_30,a_9_31,a_9_32,a_9_33,a_9_34,a_10_1,a_10_2,a_10_3,a_10_4,a_10_5,a_10_6,a_10_7,a_10_8,a_10_9,a_10_10,a_10_11,a_10_12,a_10_13,a_10_14,a_10_15,a_10_16,a_10_17,a_10_18,a_10_19,a_10_20,a_10_21,a_10_22,a_10_23,a_10_24,a_10_25,a_10_26,a_10_27,a_10_28,a_10_29,a_10_30,a_10_31,a_10_32,a_10_33,a_10_34,a_11_1,a_11_2,a_11_3,a_11_4,a_11_5,a_11_6,a_11_7,a_11_8,a_11_9,a_11_10,a_11_11,a_11_12,a_11_13,a_11_14,a_11_15,a_11_16,a_11_17,a_11_18,a_11_19,a_11_20,a_11_21,a_11_22,a_11_23,a_11_24,a_11_25,a_11_26,a_11_27,a_11_28,a_11_29,a_11_30,a_11_31,a_11_32,a_11_33,a_11_34,a_12_1,a_12_2,a_12_3,a_12_4,a_12_5,a_12_6,a_12_7,a_12_8,a_12_9,a_12_10,a_12_11,a_12_12,a_12_13,a_12_14,a_12_15,a_12_16,a_12_17,a_12_18,a_12_19,a_12_20,a_12_21,a_12_22,a_12_23,a_12_24,a_12_25,a_12_26,a_12_27,a_12_28,a_12_29,a_12_30,a_12_31,a_12_32,a_12_33,a_12_34,a_13_1,a_13_2,a_13_3,a_13_4,a_13_5,a_13_6,a_13_7,a_13_8,a_13_9,a_13_10,a_13_11,a_13_12,a_13_13,a_13_14,a_13_15,a_13_16,a_13_17,a_13_18,a_13_19,a_13_20,a_13_21,a_13_22,a_13_23,a_13_24,a_13_25,a_13_26,a_13_27,a_13_28,a_13_29,a_13_30,a_13_31,a_13_32,a_13_33,a_13_34,a_14_1,a_14_2,a_14_3,a_14_4,a_14_5,a_14_6,a_14_7,a_14_8,a_14_9,a_14_10,a_14_11,a_14_12,a_14_13,a_14_14,a_14_15,a_14_16,a_14_17,a_14_18,a_14_19,a_14_20,a_14_21,a_14_22,a_14_23,a_14_24,a_14_25,a_14_26,a_14_27,a_14_28,a_14_29,a_14_30,a_14_31,a_14_32,a_14_33,a_14_34,a_15_1,a_15_2,a_15_3,a_15_4,a_15_5,a_15_6,a_15_7,a_15_8,a_15_9,a_15_10,a_15_11,a_15_12,a_15_13,a_15_14,a_15_15,a_15_16,a_15_17,a_15_18,a_15_19,a_15_20,a_15_21,a_15_22,a_15_23,a_15_24,a_15_25,a_15_26,a_15_27,a_15_28,a_15_29,a_15_30,a_15_31,a_15_32,a_15_33,a_15_34,a_16_1,a_16_2,a_16_3,a_16_4,a_16_5,a_16_6,a_16_7,a_16_8,a_16_9,a_16_10,a_16_11,a_16_12,a_16_13,a_16_14,a_16_15,a_16_16,a_16_17,a_16_18,a_16_19,a_16_20,a_16_21,a_16_22,a_16_23,a_16_24,a_16_25,a_16_26,a_16_27,a_16_28,a_16_29,a_16_30,a_16_31,a_16_32,a_16_33,a_16_34,a_17_1,a_17_2,a_17_3,a_17_4,a_17_5,a_17_6,a_17_7,a_17_8,a_17_9,a_17_10,a_17_11,a_17_12,a_17_13,a_17_14,a_17_15,a_17_16,a_17_17,a_17_18,a_17_19,a_17_20,a_17_21,a_17_22,a_17_23,a_17_24,a_17_25,a_17_26,a_17_27,a_17_28,a_17_29,a_17_30,a_17_31,a_17_32,a_17_33,a_17_34,a_18_1,a_18_2,a_18_3,a_18_4,a_18_5,a_18_6,a_18_7,a_18_8,a_18_9,a_18_10,a_18_11,a_18_12,a_18_13,a_18_14,a_18_15,a_18_16,a_18_17,a_18_18,a_18_19,a_18_20,a_18_21,a_18_22,a_18_23,a_18_24,a_18_25,a_18_26,a_18_27,a_18_28,a_18_29,a_18_30,a_18_31,a_18_32,a_18_33,a_18_34,a_19_1,a_19_2,a_19_3,a_19_4,a_19_5,a_19_6,a_19_7,a_19_8,a_19_9,a_19_10,a_19_11,a_19_12,a_19_13,a_19_14,a_19_15,a_19_16,a_19_17,a_19_18,a_19_19,a_19_20,a_19_21,a_19_22,a_19_23,a_19_24,a_19_25,a_19_26,a_19_27,a_19_28,a_19_29,a_19_30,a_19_31,a_19_32,a_19_33,a_19_34,a_20_1,a_20_2,a_20_3,a_20_4,a_20_5,a_20_6,a_20_7,a_20_8,a_20_9,a_20_10,a_20_11,a_20_12,a_20_13,a_20_14,a_20_15,a_20_16,a_20_17,a_20_18,a_20_19,a_20_20,a_20_21,a_20_22,a_20_23,a_20_24,a_20_25,a_20_26,a_20_27,a_20_28,a_20_29,a_20_30,a_20_31,a_20_32,a_20_33,a_20_34,a_21_1,a_21_2,a_21_3,a_21_4,a_21_5,a_21_6,a_21_7,a_21_8,a_21_9,a_21_10,a_21_11,a_21_12,a_21_13,a_21_14,a_21_15,a_21_16,a_21_17,a_21_18,a_21_19,a_21_20,a_21_21,a_21_22,a_21_23,a_21_24,a_21_25,a_21_26,a_21_27,a_21_28,a_21_29,a_21_30,a_21_31,a_21_32,a_21_33,a_21_34,a_22_1,a_22_2,a_22_3,a_22_4,a_22_5,a_22_6,a_22_7,a_22_8,a_22_9,a_22_10,a_22_11,a_22_12,a_22_13,a_22_14,a_22_15,a_22_16,a_22_17,a_22_18,a_22_19,a_22_20,a_22_21,a_22_22,a_22_23,a_22_24,a_22_25,a_22_26,a_22_27,a_22_28,a_22_29,a_22_30,a_22_31,a_22_32,a_22_33,a_22_34,a_23_1,a_23_2,a_23_3,a_23_4,a_23_5,a_23_6,a_23_7,a_23_8,a_23_9,a_23_10,a_23_11,a_23_12,a_23_13,a_23_14,a_23_15,a_23_16,a_23_17,a_23_18,a_23_19,a_23_20,a_23_21,a_23_22,a_23_23,a_23_24,a_23_25,a_23_26,a_23_27,a_23_28,a_23_29,a_23_30,a_23_31,a_23_32,a_23_33,a_23_34,a_24_1,a_24_2,a_24_3,a_24_4,a_24_5,a_24_6,a_24_7,a_24_8,a_24_9,a_24_10,a_24_11,a_24_12,a_24_13,a_24_14,a_24_15,a_24_16,a_24_17,a_24_18,a_24_19,a_24_20,a_24_21,a_24_22,a_24_23,a_24_24,a_24_25,a_24_26,a_24_27,a_24_28,a_24_29,a_24_30,a_24_31,a_24_32,a_24_33,a_24_34,a_25_1,a_25_2,a_25_3,a_25_4,a_25_5,a_25_6,a_25_7,a_25_8,a_25_9,a_25_10,a_25_11,a_25_12,a_25_13,a_25_14,a_25_15,a_25_16,a_25_17,a_25_18,a_25_19,a_25_20,a_25_21,a_25_22,a_25_23,a_25_24,a_25_25,a_25_26,a_25_27,a_25_28,a_25_29,a_25_30,a_25_31,a_25_32,a_25_33,a_25_34,a_26_1,a_26_2,a_26_3,a_26_4,a_26_5,a_26_6,a_26_7,a_26_8,a_26_9,a_26_10,a_26_11,a_26_12,a_26_13,a_26_14,a_26_15,a_26_16,a_26_17,a_26_18,a_26_19,a_26_20,a_26_21,a_26_22,a_26_23,a_26_24,a_26_25,a_26_26,a_26_27,a_26_28,a_26_29,a_26_30,a_26_31,a_26_32,a_26_33,a_26_34,a_27_1,a_27_2,a_27_3,a_27_4,a_27_5,a_27_6,a_27_7,a_27_8,a_27_9,a_27_10,a_27_11,a_27_12,a_27_13,a_27_14,a_27_15,a_27_16,a_27_17,a_27_18,a_27_19,a_27_20,a_27_21,a_27_22,a_27_23,a_27_24,a_27_25,a_27_26,a_27_27,a_27_28,a_27_29,a_27_30,a_27_31,a_27_32,a_27_33,a_27_34,a_28_1,a_28_2,a_28_3,a_28_4,a_28_5,a_28_6,a_28_7,a_28_8,a_28_9,a_28_10,a_28_11,a_28_12,a_28_13,a_28_14,a_28_15,a_28_16,a_28_17,a_28_18,a_28_19,a_28_20,a_28_21,a_28_22,a_28_23,a_28_24,a_28_25,a_28_26,a_28_27,a_28_28,a_28_29,a_28_30,a_28_31,a_28_32,a_28_33,a_28_34,a_29_1,a_29_2,a_29_3,a_29_4,a_29_5,a_29_6,a_29_7,a_29_8,a_29_9,a_29_10,a_29_11,a_29_12,a_29_13,a_29_14,a_29_15,a_29_16,a_29_17,a_29_18,a_29_19,a_29_20,a_29_21,a_29_22,a_29_23,a_29_24,a_29_25,a_29_26,a_29_27,a_29_28,a_29_29,a_29_30,a_29_31,a_29_32,a_29_33,a_29_34,a_30_1,a_30_2,a_30_3,a_30_4,a_30_5,a_30_6,a_30_7,a_30_8,a_30_9,a_30_10,a_30_11,a_30_12,a_30_13,a_30_14,a_30_15,a_30_16,a_30_17,a_30_18,a_30_19,a_30_20,a_30_21,a_30_22,a_30_23,a_30_24,a_30_25,a_30_26,a_30_27,a_30_28,a_30_29,a_30_30,a_30_31,a_30_32,a_30_33,a_30_34,a_31_1,a_31_2,a_31_3,a_31_4,a_31_5,a_31_6,a_31_7,a_31_8,a_31_9,a_31_10,a_31_11,a_31_12,a_31_13,a_31_14,a_31_15,a_31_16,a_31_17,a_31_18,a_31_19,a_31_20,a_31_21,a_31_22,a_31_23,a_31_24,a_31_25,a_31_26,a_31_27,a_31_28,a_31_29,a_31_30,a_31_31,a_31_32,a_31_33,a_31_34,a_32_1,a_32_2,a_32_3,a_32_4,a_32_5,a_32_6,a_32_7,a_32_8,a_32_9,a_32_10,a_32_11,a_32_12,a_32_13,a_32_14,a_32_15,a_32_16,a_32_17,a_32_18,a_32_19,a_32_20,a_32_21,a_32_22,a_32_23,a_32_24,a_32_25,a_32_26,a_32_27,a_32_28,a_32_29,a_32_30,a_32_31,a_32_32,a_32_33,a_32_34,a_33_1,a_33_2,a_33_3,a_33_4,a_33_5,a_33_6,a_33_7,a_33_8,a_33_9,a_33_10,a_33_11,a_33_12,a_33_13,a_33_14,a_33_15,a_33_16,a_33_17,a_33_18,a_33_19,a_33_20,a_33_21,a_33_22,a_33_23,a_33_24,a_33_25,a_33_26,a_33_27,a_33_28,a_33_29,a_33_30,a_33_31,a_33_32,a_33_33,a_33_34,a_34_1,a_34_2,a_34_3,a_34_4,a_34_5,a_34_6,a_34_7,a_34_8,a_34_9,a_34_10,a_34_11,a_34_12,a_34_13,a_34_14,a_34_15,a_34_16,a_34_17,a_34_18,a_34_19,a_34_20,a_34_21,a_34_22,a_34_23,a_34_24,a_34_25,a_34_26,a_34_27,a_34_28,a_34_29,a_34_30,a_34_31,a_34_32,a_34_33,a_34_34the input for this action is the scalar output from one or more other actions
opes:OPES_METAD_EXPLORE...On-the-fly probability enhanced sampling with well-tempered target distribution in exploreation mode. More detailsARG=cvthe input for this action is the scalar output from one or more other actionsPACE=100the frequency for kernel depositionBARRIER=150the free energy barrier to be overcomeTEMP=300.0 ...temperaturePrint quantities to a file. More detailsARG=cv.*,opesthe input for this action is the scalar output from one or more other actionsFILE=colvarthe name of the file on which to output these quantitiesSTRIDE=1the frequency with which the quantities of interest should be output