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

Click on the labels of the actions for more information on what each action computes
tested onv2.8
tested onmaster
UNITS
This command sets the internal units for the code. More details
LENGTH
the units of lengths
=A
TIME
the units of time
=fs
cnh1:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=9
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh2:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=17
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh3:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=30
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh4:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=43
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh5:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=56
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh6:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=69
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh7:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=82
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh8:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=95
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh9:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=108
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh10:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=121
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh11:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=134
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh12:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=147
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh13:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=160
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh14:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=173
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh15:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=186
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh16:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=199
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh17:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=212
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh18:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=225
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh19:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=238
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh20:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=251
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnh21:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=264
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6
cnoh11:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh12:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh13:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh14:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh15:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh16:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh17:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh18:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh19:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh110:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh111:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh112:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh113:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh114:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh115:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh116:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh117:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh118:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh119:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh120:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh121:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=2
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6
cnoh21:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh22:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh23:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh24:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh25:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh26:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh27:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh28:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh29:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh210:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh211:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh212:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh213:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh214:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh215:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh216:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh217:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh218:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh219:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh220:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh221:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=3
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6
cnoh31:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh32:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh33:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh34:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh35:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh36:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh37:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh38:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh39:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh310:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh311:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh312:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh313:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh314:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh315:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh316:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh317:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh318:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh319:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh320:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6 cnoh321:
COORDINATION
Calculate coordination numbers. More details
GROUPA
First list of atoms
=5
GROUPB
Second 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_0
The r_0 parameter of the switching function
=0.4
NN
The n parameter of the switching function
=6
tcno11:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh11,cnh1
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno12:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh12,cnh2
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno13:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh13,cnh3
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno14:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh14,cnh4
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno15:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh15,cnh5
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno16:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh16,cnh6
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno17:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh17,cnh7
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno18:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh18,cnh8
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno19:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh19,cnh9
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno110:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh110,cnh10
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno111:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh111,cnh11
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno112:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh112,cnh12
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno113:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh113,cnh13
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno114:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh114,cnh14
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno115:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh115,cnh15
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno116:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh116,cnh16
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno117:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh117,cnh17
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno118:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh118,cnh18
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno119:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh119,cnh19
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno120:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh120,cnh20
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno121:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh121,cnh21
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
tcno21:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh21,cnh1
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno22:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh22,cnh2
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno23:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh23,cnh3
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno24:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh24,cnh4
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno25:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh25,cnh5
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno26:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh26,cnh6
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno27:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh27,cnh7
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno28:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh28,cnh8
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno29:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh29,cnh9
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno210:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh210,cnh10
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno211:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh211,cnh11
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno212:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh212,cnh12
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno213:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh213,cnh13
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno214:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh214,cnh14
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno215:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh215,cnh15
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno216:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh216,cnh16
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno217:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh217,cnh17
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno218:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh218,cnh18
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno219:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh219,cnh19
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno220:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh220,cnh20
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno221:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh221,cnh21
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
tcno31:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh31,cnh1
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno32:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh32,cnh2
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno33:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh33,cnh3
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno34:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh34,cnh4
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno35:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh35,cnh5
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno36:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh36,cnh6
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno37:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh37,cnh7
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno38:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh38,cnh8
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno39:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh39,cnh9
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno310:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh310,cnh10
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno311:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh311,cnh11
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno312:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh312,cnh12
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno313:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh313,cnh13
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno314:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh314,cnh14
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno315:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh315,cnh15
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno316:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh316,cnh16
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno317:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh317,cnh17
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno318:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh318,cnh18
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno319:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh319,cnh19
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno320:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh320,cnh20
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO tcno321:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input for this action is the scalar output from one or more other actions
=cnoh321,cnh21
VAR
the names to give each of the arguments in the function
=x,y
FUNC
the function you wish to evaluate
=x/y
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
CUSTOM
Calculate a combination of variables using a custom expression. More details
...
LABEL
a label for the action so that its output can be referenced in the input to other actions
=cno1
ARG
the input for this action is the scalar output from one or more other actions
=tcno11,tcno12,tcno13,tcno14,tcno15,tcno16,tcno17,tcno18,tcno19,tcno110,tcno111,tcno112,tcno113,tcno114,tcno115,tcno116,tcno117,tcno118,tcno119,tcno120,tcno121
VAR
the 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
FUNC
the 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
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO ... CUSTOM
CUSTOM
Calculate a combination of variables using a custom expression. More details
...
LABEL
a label for the action so that its output can be referenced in the input to other actions
=cno2
ARG
the input for this action is the scalar output from one or more other actions
=tcno21,tcno22,tcno23,tcno24,tcno25,tcno26,tcno27,tcno28,tcno29,tcno210,tcno211,tcno212,tcno213,tcno214,tcno215,tcno216,tcno217,tcno218,tcno219,tcno220,tcno221
VAR
the 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
FUNC
the 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
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO ... CUSTOM
CUSTOM
Calculate a combination of variables using a custom expression. More details
...
LABEL
a label for the action so that its output can be referenced in the input to other actions
=cno3
ARG
the input for this action is the scalar output from one or more other actions
=tcno31,tcno32,tcno33,tcno34,tcno35,tcno36,tcno37,tcno38,tcno39,tcno310,tcno311,tcno312,tcno313,tcno314,tcno315,tcno316,tcno317,tcno318,tcno319,tcno320,tcno321
VAR
the 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
FUNC
the 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
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO ... CUSTOM
CUSTOM
Calculate a combination of variables using a custom expression. More details
...
LABEL
a label for the action so that its output can be referenced in the input to other actions
=cno_tot
ARG
the input for this action is the scalar output from one or more other actions
=cno1,cno2,cno3
VAR
the names to give each of the arguments in the function
=x1,x2,x3
FUNC
the function you wish to evaluate
=x1+x2+x3
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO ... CUSTOM
d1:
DISTANCES
Calculate the distances between one or many pairs of atoms. You can then calculate functions of the distribution of More details
GROUPA
Calculate the distances between all the atoms in GROUPA and all the atoms in GROUPB
=2,3,5
GROUPB
Calculate 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
MIN
calculate the minimum value
={BETA=24.}
metad:
METAD
Used to performed metadynamics on one or more collective variables. More details
ARG
the input for this action is the scalar output from one or more other actions
=cno_tot,d1.min
PACE
the frequency for hill addition
=12
HEIGHT
the heights of the Gaussian hills
=0.4
SIGMA
the widths of the Gaussian hills
=.1,0.2
FILE
a file in which the list of added hills is stored
=./plumed/HILLS
BIASFACTOR
use well tempered metadynamics and use this bias factor
=3
TEMP
the 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
PRINT
Print quantities to a file. More details
STRIDE
the frequency with which the quantities of interest should be output
=1
ARG
the input for this action is the scalar output from one or more other actions
=cno_tot,d1.min,metad.bias
FILE
the name of the file on which to output these quantities
=./plumed/COLVAR