PLUMED-NEST

Project ID: plumID:22.038
Source: input_files/plumed.dat
Originally used with PLUMED version: 2.8
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes

UNITSThis command sets the internal units for the code. More details LENGTHthe units of lengths=A
The UNITS action with label  calculates somethinga_1_1: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=1 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_1 calculates the following quantities:
 Quantity   
 Description  
a_1_1.value
the value of the coordinationa_1_2: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_2 calculates the following quantities:
 Quantity   
 Description  
a_1_2.value
the value of the coordinationa_1_3: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=3 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_3 calculates the following quantities:
 Quantity   
 Description  
a_1_3.value
the value of the coordinationa_1_4: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=4 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_4 calculates the following quantities:
 Quantity   
 Description  
a_1_4.value
the value of the coordinationa_1_5: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=5 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_5 calculates the following quantities:
 Quantity   
 Description  
a_1_5.value
the value of the coordinationa_1_6: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=6 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_6 calculates the following quantities:
 Quantity   
 Description  
a_1_6.value
the value of the coordinationa_1_7: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=7 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_7 calculates the following quantities:
 Quantity   
 Description  
a_1_7.value
the value of the coordinationa_1_8: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=8 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_8 calculates the following quantities:
 Quantity   
 Description  
a_1_8.value
the value of the coordinationa_1_9: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 R_0The r_0 parameter of the switching function=1.2 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_9 calculates the following quantities:
 Quantity   
 Description  
a_1_9.value
the value of the coordinationa_1_10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=10 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_10 calculates the following quantities:
 Quantity   
 Description  
a_1_10.value
the value of the coordinationa_1_11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=11 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_11 calculates the following quantities:
 Quantity   
 Description  
a_1_11.value
the value of the coordinationa_1_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_1_12 calculates the following quantities:
 Quantity   
 Description  
a_1_12.value
the value of the coordinationa_1_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_1_13 calculates the following quantities:
 Quantity   
 Description  
a_1_13.value
the value of the coordinationa_2_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_2 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_2_1 calculates the following quantities:
 Quantity   
 Description  
a_2_1.value
an arbitrary functiona_2_2: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_2_2 calculates the following quantities:
 Quantity   
 Description  
a_2_2.value
the value of the coordinationa_2_3: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=3 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_2_3 calculates the following quantities:
 Quantity   
 Description  
a_2_3.value
the value of the coordinationa_2_4: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=4 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_2_4 calculates the following quantities:
 Quantity   
 Description  
a_2_4.value
the value of the coordinationa_2_5: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=5 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_2_5 calculates the following quantities:
 Quantity   
 Description  
a_2_5.value
the value of the coordinationa_2_6: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=6 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_2_6 calculates the following quantities:
 Quantity   
 Description  
a_2_6.value
the value of the coordinationa_2_7: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=7 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_2_7 calculates the following quantities:
 Quantity   
 Description  
a_2_7.value
the value of the coordinationa_2_8: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=8 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_2_8 calculates the following quantities:
 Quantity   
 Description  
a_2_8.value
the value of the coordinationa_2_9: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 R_0The r_0 parameter of the switching function=1.4 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_2_9 calculates the following quantities:
 Quantity   
 Description  
a_2_9.value
the value of the coordinationa_2_10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=10 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_2_10 calculates the following quantities:
 Quantity   
 Description  
a_2_10.value
the value of the coordinationa_2_11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=11 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_2_11 calculates the following quantities:
 Quantity   
 Description  
a_2_11.value
the value of the coordinationa_2_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_2_12 calculates the following quantities:
 Quantity   
 Description  
a_2_12.value
the value of the coordinationa_2_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_2_13 calculates the following quantities:
 Quantity   
 Description  
a_2_13.value
the value of the coordinationa_3_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_3 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_3_1 calculates the following quantities:
 Quantity   
 Description  
a_3_1.value
an arbitrary functiona_3_2: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_2_3 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_3_2 calculates the following quantities:
 Quantity   
 Description  
a_3_2.value
an arbitrary functiona_3_3: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=3 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_3_3 calculates the following quantities:
 Quantity   
 Description  
a_3_3.value
the value of the coordinationa_3_4: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=4 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_3_4 calculates the following quantities:
 Quantity   
 Description  
a_3_4.value
the value of the coordinationa_3_5: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=5 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_3_5 calculates the following quantities:
 Quantity   
 Description  
a_3_5.value
the value of the coordinationa_3_6: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=6 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_3_6 calculates the following quantities:
 Quantity   
 Description  
a_3_6.value
the value of the coordinationa_3_7: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=7 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_3_7 calculates the following quantities:
 Quantity   
 Description  
a_3_7.value
the value of the coordinationa_3_8: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=8 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_3_8 calculates the following quantities:
 Quantity   
 Description  
a_3_8.value
the value of the coordinationa_3_9: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 R_0The r_0 parameter of the switching function=1.2 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_3_9 calculates the following quantities:
 Quantity   
 Description  
a_3_9.value
the value of the coordinationa_3_10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=10 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_3_10 calculates the following quantities:
 Quantity   
 Description  
a_3_10.value
the value of the coordinationa_3_11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=11 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_3_11 calculates the following quantities:
 Quantity   
 Description  
a_3_11.value
the value of the coordinationa_3_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_3_12 calculates the following quantities:
 Quantity   
 Description  
a_3_12.value
the value of the coordinationa_3_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_3_13 calculates the following quantities:
 Quantity   
 Description  
a_3_13.value
the value of the coordinationa_4_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_4 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_4_1 calculates the following quantities:
 Quantity   
 Description  
a_4_1.value
an arbitrary functiona_4_2: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_2_4 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_4_2 calculates the following quantities:
 Quantity   
 Description  
a_4_2.value
an arbitrary functiona_4_3: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_3_4 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_4_3 calculates the following quantities:
 Quantity   
 Description  
a_4_3.value
an arbitrary functiona_4_4: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=4 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=4 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_4_4 calculates the following quantities:
 Quantity   
 Description  
a_4_4.value
the value of the coordinationa_4_5: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=4 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=5 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_4_5 calculates the following quantities:
 Quantity   
 Description  
a_4_5.value
the value of the coordinationa_4_6: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=4 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=6 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_4_6 calculates the following quantities:
 Quantity   
 Description  
a_4_6.value
the value of the coordinationa_4_7: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=4 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=7 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_4_7 calculates the following quantities:
 Quantity   
 Description  
a_4_7.value
the value of the coordinationa_4_8: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=4 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=8 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_4_8 calculates the following quantities:
 Quantity   
 Description  
a_4_8.value
the value of the coordinationa_4_9: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=4 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 R_0The r_0 parameter of the switching function=1.2 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_4_9 calculates the following quantities:
 Quantity   
 Description  
a_4_9.value
the value of the coordinationa_4_10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=4 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=10 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_4_10 calculates the following quantities:
 Quantity   
 Description  
a_4_10.value
the value of the coordinationa_4_11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=4 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=11 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_4_11 calculates the following quantities:
 Quantity   
 Description  
a_4_11.value
the value of the coordinationa_4_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=4 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_4_12 calculates the following quantities:
 Quantity   
 Description  
a_4_12.value
the value of the coordinationa_4_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=4 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_4_13 calculates the following quantities:
 Quantity   
 Description  
a_4_13.value
the value of the coordinationa_5_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_5 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_5_1 calculates the following quantities:
 Quantity   
 Description  
a_5_1.value
an arbitrary functiona_5_2: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_2_5 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_5_2 calculates the following quantities:
 Quantity   
 Description  
a_5_2.value
an arbitrary functiona_5_3: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_3_5 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_5_3 calculates the following quantities:
 Quantity   
 Description  
a_5_3.value
an arbitrary functiona_5_4: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_4_5 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_5_4 calculates the following quantities:
 Quantity   
 Description  
a_5_4.value
an arbitrary functiona_5_5: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=5 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_5_5 calculates the following quantities:
 Quantity   
 Description  
a_5_5.value
the value of the coordinationa_5_6: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=6 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_5_6 calculates the following quantities:
 Quantity   
 Description  
a_5_6.value
the value of the coordinationa_5_7: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=7 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_5_7 calculates the following quantities:
 Quantity   
 Description  
a_5_7.value
the value of the coordinationa_5_8: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=8 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_5_8 calculates the following quantities:
 Quantity   
 Description  
a_5_8.value
the value of the coordinationa_5_9: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 R_0The r_0 parameter of the switching function=1.4 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_5_9 calculates the following quantities:
 Quantity   
 Description  
a_5_9.value
the value of the coordinationa_5_10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=10 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_5_10 calculates the following quantities:
 Quantity   
 Description  
a_5_10.value
the value of the coordinationa_5_11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=11 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_5_11 calculates the following quantities:
 Quantity   
 Description  
a_5_11.value
the value of the coordinationa_5_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_5_12 calculates the following quantities:
 Quantity   
 Description  
a_5_12.value
the value of the coordinationa_5_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_5_13 calculates the following quantities:
 Quantity   
 Description  
a_5_13.value
the value of the coordinationa_6_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_6 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_6_1 calculates the following quantities:
 Quantity   
 Description  
a_6_1.value
an arbitrary functiona_6_2: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_2_6 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_6_2 calculates the following quantities:
 Quantity   
 Description  
a_6_2.value
an arbitrary functiona_6_3: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_3_6 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_6_3 calculates the following quantities:
 Quantity   
 Description  
a_6_3.value
an arbitrary functiona_6_4: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_4_6 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_6_4 calculates the following quantities:
 Quantity   
 Description  
a_6_4.value
an arbitrary functiona_6_5: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_5_6 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_6_5 calculates the following quantities:
 Quantity   
 Description  
a_6_5.value
an arbitrary functiona_6_6: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=6 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=6 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_6_6 calculates the following quantities:
 Quantity   
 Description  
a_6_6.value
the value of the coordinationa_6_7: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=6 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=7 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_6_7 calculates the following quantities:
 Quantity   
 Description  
a_6_7.value
the value of the coordinationa_6_8: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=6 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=8 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_6_8 calculates the following quantities:
 Quantity   
 Description  
a_6_8.value
the value of the coordinationa_6_9: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=6 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 R_0The r_0 parameter of the switching function=1.2 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_6_9 calculates the following quantities:
 Quantity   
 Description  
a_6_9.value
the value of the coordinationa_6_10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=6 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=10 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_6_10 calculates the following quantities:
 Quantity   
 Description  
a_6_10.value
the value of the coordinationa_6_11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=6 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=11 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_6_11 calculates the following quantities:
 Quantity   
 Description  
a_6_11.value
the value of the coordinationa_6_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=6 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_6_12 calculates the following quantities:
 Quantity   
 Description  
a_6_12.value
the value of the coordinationa_6_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=6 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_6_13 calculates the following quantities:
 Quantity   
 Description  
a_6_13.value
the value of the coordinationa_7_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_7 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_7_1 calculates the following quantities:
 Quantity   
 Description  
a_7_1.value
an arbitrary functiona_7_2: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_2_7 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_7_2 calculates the following quantities:
 Quantity   
 Description  
a_7_2.value
an arbitrary functiona_7_3: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_3_7 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_7_3 calculates the following quantities:
 Quantity   
 Description  
a_7_3.value
an arbitrary functiona_7_4: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_4_7 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_7_4 calculates the following quantities:
 Quantity   
 Description  
a_7_4.value
an arbitrary functiona_7_5: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_5_7 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_7_5 calculates the following quantities:
 Quantity   
 Description  
a_7_5.value
an arbitrary functiona_7_6: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_6_7 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_7_6 calculates the following quantities:
 Quantity   
 Description  
a_7_6.value
an arbitrary functiona_7_7: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=7 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=7 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_7_7 calculates the following quantities:
 Quantity   
 Description  
a_7_7.value
the value of the coordinationa_7_8: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=7 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=8 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_7_8 calculates the following quantities:
 Quantity   
 Description  
a_7_8.value
the value of the coordinationa_7_9: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=7 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 R_0The r_0 parameter of the switching function=1.2 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_7_9 calculates the following quantities:
 Quantity   
 Description  
a_7_9.value
the value of the coordinationa_7_10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=7 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=10 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_7_10 calculates the following quantities:
 Quantity   
 Description  
a_7_10.value
the value of the coordinationa_7_11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=7 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=11 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_7_11 calculates the following quantities:
 Quantity   
 Description  
a_7_11.value
the value of the coordinationa_7_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=7 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_7_12 calculates the following quantities:
 Quantity   
 Description  
a_7_12.value
the value of the coordinationa_7_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=7 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_7_13 calculates the following quantities:
 Quantity   
 Description  
a_7_13.value
the value of the coordinationa_8_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_8 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_8_1 calculates the following quantities:
 Quantity   
 Description  
a_8_1.value
an arbitrary functiona_8_2: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_2_8 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_8_2 calculates the following quantities:
 Quantity   
 Description  
a_8_2.value
an arbitrary functiona_8_3: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_3_8 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_8_3 calculates the following quantities:
 Quantity   
 Description  
a_8_3.value
an arbitrary functiona_8_4: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_4_8 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_8_4 calculates the following quantities:
 Quantity   
 Description  
a_8_4.value
an arbitrary functiona_8_5: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_5_8 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_8_5 calculates the following quantities:
 Quantity   
 Description  
a_8_5.value
an arbitrary functiona_8_6: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_6_8 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_8_6 calculates the following quantities:
 Quantity   
 Description  
a_8_6.value
an arbitrary functiona_8_7: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_7_8 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_8_7 calculates the following quantities:
 Quantity   
 Description  
a_8_7.value
an arbitrary functiona_8_8: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=8 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=8 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_8_8 calculates the following quantities:
 Quantity   
 Description  
a_8_8.value
the value of the coordinationa_8_9: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=8 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 R_0The r_0 parameter of the switching function=1.4 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_8_9 calculates the following quantities:
 Quantity   
 Description  
a_8_9.value
the value of the coordinationa_8_10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=8 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=10 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_8_10 calculates the following quantities:
 Quantity   
 Description  
a_8_10.value
the value of the coordinationa_8_11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=8 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=11 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_8_11 calculates the following quantities:
 Quantity   
 Description  
a_8_11.value
the value of the coordinationa_8_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=8 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_8_12 calculates the following quantities:
 Quantity   
 Description  
a_8_12.value
the value of the coordinationa_8_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=8 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_8_13 calculates the following quantities:
 Quantity   
 Description  
a_8_13.value
the value of the coordinationa_9_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_9 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_9_1 calculates the following quantities:
 Quantity   
 Description  
a_9_1.value
an arbitrary functiona_9_2: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_2_9 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_9_2 calculates the following quantities:
 Quantity   
 Description  
a_9_2.value
an arbitrary functiona_9_3: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_3_9 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_9_3 calculates the following quantities:
 Quantity   
 Description  
a_9_3.value
an arbitrary functiona_9_4: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_4_9 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_9_4 calculates the following quantities:
 Quantity   
 Description  
a_9_4.value
an arbitrary functiona_9_5: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_5_9 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_9_5 calculates the following quantities:
 Quantity   
 Description  
a_9_5.value
an arbitrary functiona_9_6: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_6_9 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_9_6 calculates the following quantities:
 Quantity   
 Description  
a_9_6.value
an arbitrary functiona_9_7: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_7_9 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_9_7 calculates the following quantities:
 Quantity   
 Description  
a_9_7.value
an arbitrary functiona_9_8: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_8_9 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_9_8 calculates the following quantities:
 Quantity   
 Description  
a_9_8.value
an arbitrary functiona_9_9: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=9 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 R_0The r_0 parameter of the switching function=1.2 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_9_9 calculates the following quantities:
 Quantity   
 Description  
a_9_9.value
the value of the coordinationa_9_10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=9 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=10 R_0The r_0 parameter of the switching function=1.2 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_9_10 calculates the following quantities:
 Quantity   
 Description  
a_9_10.value
the value of the coordinationa_9_11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=9 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=11 R_0The r_0 parameter of the switching function=1.2 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_9_11 calculates the following quantities:
 Quantity   
 Description  
a_9_11.value
the value of the coordinationa_9_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=9 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.2 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_9_12 calculates the following quantities:
 Quantity   
 Description  
a_9_12.value
the value of the coordinationa_9_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=9 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.4 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_9_13 calculates the following quantities:
 Quantity   
 Description  
a_9_13.value
the value of the coordinationa_10_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_10 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_10_1 calculates the following quantities:
 Quantity   
 Description  
a_10_1.value
an arbitrary functiona_10_2: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_2_10 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_10_2 calculates the following quantities:
 Quantity   
 Description  
a_10_2.value
an arbitrary functiona_10_3: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_3_10 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_10_3 calculates the following quantities:
 Quantity   
 Description  
a_10_3.value
an arbitrary functiona_10_4: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_4_10 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_10_4 calculates the following quantities:
 Quantity   
 Description  
a_10_4.value
an arbitrary functiona_10_5: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_5_10 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_10_5 calculates the following quantities:
 Quantity   
 Description  
a_10_5.value
an arbitrary functiona_10_6: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_6_10 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_10_6 calculates the following quantities:
 Quantity   
 Description  
a_10_6.value
an arbitrary functiona_10_7: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_7_10 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_10_7 calculates the following quantities:
 Quantity   
 Description  
a_10_7.value
an arbitrary functiona_10_8: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_8_10 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_10_8 calculates the following quantities:
 Quantity   
 Description  
a_10_8.value
an arbitrary functiona_10_9: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_9_10 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_10_9 calculates the following quantities:
 Quantity   
 Description  
a_10_9.value
an arbitrary functiona_10_10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=10 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=10 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_10_10 calculates the following quantities:
 Quantity   
 Description  
a_10_10.value
the value of the coordinationa_10_11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=10 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=11 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_10_11 calculates the following quantities:
 Quantity   
 Description  
a_10_11.value
the value of the coordinationa_10_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=10 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_10_12 calculates the following quantities:
 Quantity   
 Description  
a_10_12.value
the value of the coordinationa_10_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=10 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_10_13 calculates the following quantities:
 Quantity   
 Description  
a_10_13.value
the value of the coordinationa_11_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_11 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_11_1 calculates the following quantities:
 Quantity   
 Description  
a_11_1.value
an arbitrary functiona_11_2: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_2_11 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_11_2 calculates the following quantities:
 Quantity   
 Description  
a_11_2.value
an arbitrary functiona_11_3: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_3_11 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_11_3 calculates the following quantities:
 Quantity   
 Description  
a_11_3.value
an arbitrary functiona_11_4: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_4_11 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_11_4 calculates the following quantities:
 Quantity   
 Description  
a_11_4.value
an arbitrary functiona_11_5: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_5_11 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_11_5 calculates the following quantities:
 Quantity   
 Description  
a_11_5.value
an arbitrary functiona_11_6: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_6_11 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_11_6 calculates the following quantities:
 Quantity   
 Description  
a_11_6.value
an arbitrary functiona_11_7: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_7_11 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_11_7 calculates the following quantities:
 Quantity   
 Description  
a_11_7.value
an arbitrary functiona_11_8: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_8_11 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_11_8 calculates the following quantities:
 Quantity   
 Description  
a_11_8.value
an arbitrary functiona_11_9: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_9_11 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_11_9 calculates the following quantities:
 Quantity   
 Description  
a_11_9.value
an arbitrary functiona_11_10: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_10_11 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_11_10 calculates the following quantities:
 Quantity   
 Description  
a_11_10.value
an arbitrary functiona_11_11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=11 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=11 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_11_11 calculates the following quantities:
 Quantity   
 Description  
a_11_11.value
the value of the coordinationa_11_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=11 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_11_12 calculates the following quantities:
 Quantity   
 Description  
a_11_12.value
the value of the coordinationa_11_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=11 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_11_13 calculates the following quantities:
 Quantity   
 Description  
a_11_13.value
the value of the coordinationa_12_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_12 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_12_1 calculates the following quantities:
 Quantity   
 Description  
a_12_1.value
an arbitrary functiona_12_2: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_2_12 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_12_2 calculates the following quantities:
 Quantity   
 Description  
a_12_2.value
an arbitrary functiona_12_3: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_3_12 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_12_3 calculates the following quantities:
 Quantity   
 Description  
a_12_3.value
an arbitrary functiona_12_4: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_4_12 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_12_4 calculates the following quantities:
 Quantity   
 Description  
a_12_4.value
an arbitrary functiona_12_5: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_5_12 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_12_5 calculates the following quantities:
 Quantity   
 Description  
a_12_5.value
an arbitrary functiona_12_6: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_6_12 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_12_6 calculates the following quantities:
 Quantity   
 Description  
a_12_6.value
an arbitrary functiona_12_7: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_7_12 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_12_7 calculates the following quantities:
 Quantity   
 Description  
a_12_7.value
an arbitrary functiona_12_8: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_8_12 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_12_8 calculates the following quantities:
 Quantity   
 Description  
a_12_8.value
an arbitrary functiona_12_9: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_9_12 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_12_9 calculates the following quantities:
 Quantity   
 Description  
a_12_9.value
an arbitrary functiona_12_10: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_10_12 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_12_10 calculates the following quantities:
 Quantity   
 Description  
a_12_10.value
an arbitrary functiona_12_11: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_11_12 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_12_11 calculates the following quantities:
 Quantity   
 Description  
a_12_11.value
an arbitrary functiona_12_12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=12 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=12 R_0The r_0 parameter of the switching function=1.7 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	
The COORDINATION action with label a_12_12 calculates the following quantities:
 Quantity   
 Description  
a_12_12.value
the value of the coordinationa_12_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=12 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_12_13 calculates the following quantities:
 Quantity   
 Description  
a_12_13.value
the value of the coordinationa_13_1: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_1_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_1 calculates the following quantities:
 Quantity   
 Description  
a_13_1.value
an arbitrary functiona_13_2: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_2_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_2 calculates the following quantities:
 Quantity   
 Description  
a_13_2.value
an arbitrary functiona_13_3: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_3_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_3 calculates the following quantities:
 Quantity   
 Description  
a_13_3.value
an arbitrary functiona_13_4: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_4_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_4 calculates the following quantities:
 Quantity   
 Description  
a_13_4.value
an arbitrary functiona_13_5: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_5_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_5 calculates the following quantities:
 Quantity   
 Description  
a_13_5.value
an arbitrary functiona_13_6: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_6_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_6 calculates the following quantities:
 Quantity   
 Description  
a_13_6.value
an arbitrary functiona_13_7: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_7_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_7 calculates the following quantities:
 Quantity   
 Description  
a_13_7.value
an arbitrary functiona_13_8: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_8_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_8 calculates the following quantities:
 Quantity   
 Description  
a_13_8.value
an arbitrary functiona_13_9: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_9_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_9 calculates the following quantities:
 Quantity   
 Description  
a_13_9.value
an arbitrary functiona_13_10: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_10_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_10 calculates the following quantities:
 Quantity   
 Description  
a_13_10.value
an arbitrary functiona_13_11: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_11_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_11 calculates the following quantities:
 Quantity   
 Description  
a_13_11.value
an arbitrary functiona_13_12: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=a_12_13 FUNCthe function you wish to evaluate=x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO	
The CUSTOM action with label a_13_12 calculates the following quantities:
 Quantity   
 Description  
a_13_12.value
an arbitrary functiona_13_13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=13 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=13 R_0The r_0 parameter of the switching function=1.6 NN The n parameter of the switching function =6 MM The m parameter of the switching function; 0 implies 2*NN=10	

The COORDINATION action with label a_13_13 calculates the following quantities:
 Quantity   
 Description  
a_13_13.value
the value of the coordinationcv: PYTORCH_MODELLoad a PyTorch model compiled with TorchScript. More details FILEFilename of the PyTorch compiled model=13_cv.pt ARGthe labels of the values from which the function is calculated=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_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_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_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_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_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_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_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_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_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_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_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_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

The PYTORCH_MODEL action with label cv calculates the following quantities:
 Quantity   
 Description  
cv.node
Model outputsopes: OPES_METAD_EXPLOREOn-the-fly probability enhanced sampling with well-tempered target distribution in exploreation mode. More details ... 
  ARGthe labels of the scalars on which the bias will act=cv.*
  PACEthe frequency for kernel deposition=1500
  BARRIERthe free energy barrier to be overcome=50   # the other dynamics have been performed by increasing this parameter
  TEMP temperature=300.0
...

The OPES_METAD_EXPLORE action with label opes calculates the following quantities:
 Quantity   
 Description  
opes.bias
the instantaneous value of the bias potential
opes.rct
estimate of c(t)
opes.zed
estimate of Z_n
opes.neff
effective sample size
opes.nker
total number of compressed kernels used to represent the biasPRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=cv.*,opes.* FILEthe name of the file on which to output these quantities=colvar STRIDE the frequency with which the quantities of interest should be output=20