Project ID: plumID:20.008
Source: plumed.dat
Originally used with PLUMED version: 2.5.1
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 details LENGTHthe units of lengths=A TIMEthe units of time=fs cnh1: 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)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh2: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=17 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh3: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=30 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh4: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=43 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh5: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=56 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh6: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=69 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh7: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=82 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh8: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=95 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh9: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=108 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=121 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=134 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=147 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=160 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh14: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=173 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh15: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=186 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh16: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=199 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh17: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=212 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh18: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=225 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh19: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=238 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh20: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=251 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnh21: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=264 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh11: 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 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh12: 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)=17 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh13: 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)=30 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh14: 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)=43 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh15: 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)=56 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh16: 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)=69 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh17: 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)=82 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh18: 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)=95 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh19: 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)=108 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh110: 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)=121 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh111: 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)=134 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh112: 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)=147 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh113: 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)=160 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh114: 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)=173 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh115: 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)=186 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh116: 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)=199 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh117: 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)=212 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh118: 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)=225 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh119: 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)=238 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh120: 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)=251 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh121: 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)=264 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh21: 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 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh22: 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)=17 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh23: 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)=30 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh24: 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)=43 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh25: 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)=56 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh26: 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)=69 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh27: 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)=82 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh28: 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)=95 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh29: 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)=108 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh210: 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)=121 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh211: 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)=134 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh212: 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)=147 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh213: 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)=160 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh214: 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)=173 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh215: 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)=186 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh216: 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)=199 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh217: 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)=212 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh218: 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)=225 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh219: 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)=238 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh220: 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)=251 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh221: 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)=264 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh31: 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 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh32: 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)=17 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh33: 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)=30 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh34: 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)=43 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh35: 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)=56 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh36: 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)=69 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh37: 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)=82 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh38: 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)=95 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh39: 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)=108 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh310: 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)=121 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh311: 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)=134 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh312: 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)=147 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh313: 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)=160 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh314: 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)=173 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh315: 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)=186 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh316: 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)=199 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh317: 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)=212 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh318: 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)=225 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh319: 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)=238 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh320: 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)=251 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh321: 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)=264 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 tcno11: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh11,cnh1 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno12: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh12,cnh2 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno13: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh13,cnh3 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno14: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh14,cnh4 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno15: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh15,cnh5 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno16: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh16,cnh6 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno17: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh17,cnh7 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno18: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh18,cnh8 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno19: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh19,cnh9 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno110: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh110,cnh10 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno111: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh111,cnh11 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno112: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh112,cnh12 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno113: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh113,cnh13 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno114: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh114,cnh14 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno115: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh115,cnh15 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno116: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh116,cnh16 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno117: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh117,cnh17 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno118: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh118,cnh18 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno119: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh119,cnh19 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno120: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh120,cnh20 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno121: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh121,cnh21 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno21: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh21,cnh1 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno22: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh22,cnh2 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno23: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh23,cnh3 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno24: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh24,cnh4 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno25: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh25,cnh5 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno26: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh26,cnh6 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno27: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh27,cnh7 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno28: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh28,cnh8 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno29: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh29,cnh9 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno210: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh210,cnh10 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno211: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh211,cnh11 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno212: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh212,cnh12 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno213: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh213,cnh13 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno214: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh214,cnh14 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno215: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh215,cnh15 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno216: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh216,cnh16 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno217: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh217,cnh17 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno218: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh218,cnh18 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno219: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh219,cnh19 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno220: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh220,cnh20 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno221: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh221,cnh21 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno31: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh31,cnh1 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno32: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh32,cnh2 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno33: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh33,cnh3 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno34: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh34,cnh4 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno35: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh35,cnh5 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno36: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh36,cnh6 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno37: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh37,cnh7 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno38: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh38,cnh8 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno39: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh39,cnh9 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno310: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh310,cnh10 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno311: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh311,cnh11 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno312: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh312,cnh12 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno313: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh313,cnh13 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno314: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh314,cnh14 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno315: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh315,cnh15 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno316: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh316,cnh16 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno317: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh317,cnh17 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno318: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh318,cnh18 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno319: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh319,cnh19 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno320: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh320,cnh20 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno321: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh321,cnh21 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO CUSTOMCalculate a combination of variables using a custom expression. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=cno1 ARGthe values input to this function=tcno11,tcno12,tcno13,tcno14,tcno15,tcno16,tcno17,tcno18,tcno19,tcno110,tcno111,tcno112,tcno113,tcno114,tcno115,tcno116,tcno117,tcno118,tcno119,tcno120,tcno121 VARthe names to give each of the arguments in the function=x1,x2,x3,x4,x5,x6,x7,x8,x9,x10,x11,x12,x13,x14,x15,x16,x17,x18,x19,x20,x21 FUNCthe function you wish to evaluate=x1+x2+x3+x4+x5+x6+x7+x8+x9+x10+x11+x12+x13+x14+x15+x16+x17+x18+x19+x20+x21 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... CUSTOM
CUSTOMCalculate a combination of variables using a custom expression. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=cno2 ARGthe values input to this function=tcno21,tcno22,tcno23,tcno24,tcno25,tcno26,tcno27,tcno28,tcno29,tcno210,tcno211,tcno212,tcno213,tcno214,tcno215,tcno216,tcno217,tcno218,tcno219,tcno220,tcno221 VARthe names to give each of the arguments in the function=x1,x2,x3,x4,x5,x6,x7,x8,x9,x10,x11,x12,x13,x14,x15,x16,x17,x18,x19,x20,x21 FUNCthe function you wish to evaluate=x1+x2+x3+x4+x5+x6+x7+x8+x9+x10+x11+x12+x13+x14+x15+x16+x17+x18+x19+x20+x21 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... CUSTOM
CUSTOMCalculate a combination of variables using a custom expression. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=cno3 ARGthe values input to this function=tcno31,tcno32,tcno33,tcno34,tcno35,tcno36,tcno37,tcno38,tcno39,tcno310,tcno311,tcno312,tcno313,tcno314,tcno315,tcno316,tcno317,tcno318,tcno319,tcno320,tcno321 VARthe names to give each of the arguments in the function=x1,x2,x3,x4,x5,x6,x7,x8,x9,x10,x11,x12,x13,x14,x15,x16,x17,x18,x19,x20,x21 FUNCthe function you wish to evaluate=x1+x2+x3+x4+x5+x6+x7+x8+x9+x10+x11+x12+x13+x14+x15+x16+x17+x18+x19+x20+x21 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... CUSTOM
CUSTOMCalculate a combination of variables using a custom expression. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=cno_tot ARGthe values input to this function=cno1,cno2,cno3 VARthe names to give each of the arguments in the function=x1,x2,x3 FUNCthe function you wish to evaluate=x1+x2+x3 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... CUSTOM
d1: DISTANCESCalculate the distances between multiple piars of atoms More details GROUPACalculate the distances between all the atoms in GROUPA and all the atoms in GROUPB=2,3,5 GROUPBCalculate the distances between all the atoms in GROUPA and all the atoms in GROUPB=9,17,30,43,56,69,82,95,108,121,134,147,160,173,186,199,212,215,238,251,264 MINcalculate the minimum value={BETA=24.}
metad: METADUsed to performed metadynamics on one or more collective variables. More details ARGthe labels of the scalars on which the bias will act=cno_tot,d1.min PACEthe frequency for hill addition=12 HEIGHTthe heights of the Gaussian hills=0.4 SIGMAthe widths of the Gaussian hills=.1,0.2 FILE a file in which the list of added hills is stored=./plumed/HILLS BIASFACTORuse well tempered metadynamics and use this bias factor=3 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=363 ### PRINT STRIDE=1 ARG=cnh1,cnh2,cnh3,cnh4,cnh5,cnh6,cnh7,cnh8,cnh9,cnh10,cnh11,cnh12,cnh13,cnh14,cnh15,cnh16,cnh17,cnh18,cnh19,cnh20,cnh21,cno_tot,metad.bias FILE=./plumed/COLVAR PRINTPrint quantities to a file. More details STRIDE the frequency with which the quantities of interest should be output=1 ARGthe labels of the values that you would like to print to the file=cno_tot,d1.min,metad.bias FILEthe name of the file on which to output these quantities=./plumed/COLVAR