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
UNITSThis command sets the internal units for the code. More details LENGTHthe units of lengths=A TIMEthe units of time=fs
The UNITS action with label calculates somethingcnh1The COORDINATION action with label cnh1 calculates the following quantities: Quantity | Type | Description |
cnh1 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh1: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh2The COORDINATION action with label cnh2 calculates the following quantities: Quantity | Type | Description |
cnh2 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh2: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh3The COORDINATION action with label cnh3 calculates the following quantities: Quantity | Type | Description |
cnh3 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh3: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh4The COORDINATION action with label cnh4 calculates the following quantities: Quantity | Type | Description |
cnh4 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh4: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh5The COORDINATION action with label cnh5 calculates the following quantities: Quantity | Type | Description |
cnh5 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh5: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh6The COORDINATION action with label cnh6 calculates the following quantities: Quantity | Type | Description |
cnh6 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh6: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh7The COORDINATION action with label cnh7 calculates the following quantities: Quantity | Type | Description |
cnh7 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh7: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh8The COORDINATION action with label cnh8 calculates the following quantities: Quantity | Type | Description |
cnh8 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh8: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh9The COORDINATION action with label cnh9 calculates the following quantities: Quantity | Type | Description |
cnh9 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh9: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh10The COORDINATION action with label cnh10 calculates the following quantities: Quantity | Type | Description |
cnh10 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh10: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh11The COORDINATION action with label cnh11 calculates the following quantities: Quantity | Type | Description |
cnh11 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh11: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh12The COORDINATION action with label cnh12 calculates the following quantities: Quantity | Type | Description |
cnh12 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh12: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh13The COORDINATION action with label cnh13 calculates the following quantities: Quantity | Type | Description |
cnh13 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh13: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh14The COORDINATION action with label cnh14 calculates the following quantities: Quantity | Type | Description |
cnh14 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh14: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh15The COORDINATION action with label cnh15 calculates the following quantities: Quantity | Type | Description |
cnh15 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh15: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh16The COORDINATION action with label cnh16 calculates the following quantities: Quantity | Type | Description |
cnh16 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh16: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh17The COORDINATION action with label cnh17 calculates the following quantities: Quantity | Type | Description |
cnh17 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh17: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh18The COORDINATION action with label cnh18 calculates the following quantities: Quantity | Type | Description |
cnh18 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh18: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh19The COORDINATION action with label cnh19 calculates the following quantities: Quantity | Type | Description |
cnh19 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh19: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh20The COORDINATION action with label cnh20 calculates the following quantities: Quantity | Type | Description |
cnh20 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh20: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnh21The COORDINATION action with label cnh21 calculates the following quantities: Quantity | Type | Description |
cnh21 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnh21: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh11The COORDINATION action with label cnoh11 calculates the following quantities: Quantity | Type | Description |
cnoh11 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh11: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh12The COORDINATION action with label cnoh12 calculates the following quantities: Quantity | Type | Description |
cnoh12 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh12: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh13The COORDINATION action with label cnoh13 calculates the following quantities: Quantity | Type | Description |
cnoh13 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh13: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh14The COORDINATION action with label cnoh14 calculates the following quantities: Quantity | Type | Description |
cnoh14 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh14: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh15The COORDINATION action with label cnoh15 calculates the following quantities: Quantity | Type | Description |
cnoh15 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh15: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh16The COORDINATION action with label cnoh16 calculates the following quantities: Quantity | Type | Description |
cnoh16 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh16: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh17The COORDINATION action with label cnoh17 calculates the following quantities: Quantity | Type | Description |
cnoh17 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh17: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh18The COORDINATION action with label cnoh18 calculates the following quantities: Quantity | Type | Description |
cnoh18 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh18: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh19The COORDINATION action with label cnoh19 calculates the following quantities: Quantity | Type | Description |
cnoh19 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh19: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh110The COORDINATION action with label cnoh110 calculates the following quantities: Quantity | Type | Description |
cnoh110 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh110: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh111The COORDINATION action with label cnoh111 calculates the following quantities: Quantity | Type | Description |
cnoh111 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh111: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh112The COORDINATION action with label cnoh112 calculates the following quantities: Quantity | Type | Description |
cnoh112 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh112: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh113The COORDINATION action with label cnoh113 calculates the following quantities: Quantity | Type | Description |
cnoh113 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh113: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh114The COORDINATION action with label cnoh114 calculates the following quantities: Quantity | Type | Description |
cnoh114 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh114: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh115The COORDINATION action with label cnoh115 calculates the following quantities: Quantity | Type | Description |
cnoh115 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh115: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh116The COORDINATION action with label cnoh116 calculates the following quantities: Quantity | Type | Description |
cnoh116 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh116: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh117The COORDINATION action with label cnoh117 calculates the following quantities: Quantity | Type | Description |
cnoh117 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh117: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh118The COORDINATION action with label cnoh118 calculates the following quantities: Quantity | Type | Description |
cnoh118 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh118: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh119The COORDINATION action with label cnoh119 calculates the following quantities: Quantity | Type | Description |
cnoh119 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh119: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh120The COORDINATION action with label cnoh120 calculates the following quantities: Quantity | Type | Description |
cnoh120 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh120: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh121The COORDINATION action with label cnoh121 calculates the following quantities: Quantity | Type | Description |
cnoh121 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh121: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh21The COORDINATION action with label cnoh21 calculates the following quantities: Quantity | Type | Description |
cnoh21 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh21: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh22The COORDINATION action with label cnoh22 calculates the following quantities: Quantity | Type | Description |
cnoh22 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh22: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh23The COORDINATION action with label cnoh23 calculates the following quantities: Quantity | Type | Description |
cnoh23 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh23: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh24The COORDINATION action with label cnoh24 calculates the following quantities: Quantity | Type | Description |
cnoh24 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh24: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh25The COORDINATION action with label cnoh25 calculates the following quantities: Quantity | Type | Description |
cnoh25 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh25: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh26The COORDINATION action with label cnoh26 calculates the following quantities: Quantity | Type | Description |
cnoh26 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh26: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh27The COORDINATION action with label cnoh27 calculates the following quantities: Quantity | Type | Description |
cnoh27 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh27: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh28The COORDINATION action with label cnoh28 calculates the following quantities: Quantity | Type | Description |
cnoh28 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh28: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh29The COORDINATION action with label cnoh29 calculates the following quantities: Quantity | Type | Description |
cnoh29 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh29: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh210The COORDINATION action with label cnoh210 calculates the following quantities: Quantity | Type | Description |
cnoh210 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh210: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh211The COORDINATION action with label cnoh211 calculates the following quantities: Quantity | Type | Description |
cnoh211 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh211: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh212The COORDINATION action with label cnoh212 calculates the following quantities: Quantity | Type | Description |
cnoh212 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh212: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh213The COORDINATION action with label cnoh213 calculates the following quantities: Quantity | Type | Description |
cnoh213 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh213: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh214The COORDINATION action with label cnoh214 calculates the following quantities: Quantity | Type | Description |
cnoh214 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh214: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh215The COORDINATION action with label cnoh215 calculates the following quantities: Quantity | Type | Description |
cnoh215 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh215: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh216The COORDINATION action with label cnoh216 calculates the following quantities: Quantity | Type | Description |
cnoh216 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh216: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh217The COORDINATION action with label cnoh217 calculates the following quantities: Quantity | Type | Description |
cnoh217 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh217: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh218The COORDINATION action with label cnoh218 calculates the following quantities: Quantity | Type | Description |
cnoh218 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh218: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh219The COORDINATION action with label cnoh219 calculates the following quantities: Quantity | Type | Description |
cnoh219 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh219: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh220The COORDINATION action with label cnoh220 calculates the following quantities: Quantity | Type | Description |
cnoh220 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh220: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh221The COORDINATION action with label cnoh221 calculates the following quantities: Quantity | Type | Description |
cnoh221 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh221: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh31The COORDINATION action with label cnoh31 calculates the following quantities: Quantity | Type | Description |
cnoh31 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh31: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh32The COORDINATION action with label cnoh32 calculates the following quantities: Quantity | Type | Description |
cnoh32 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh32: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh33The COORDINATION action with label cnoh33 calculates the following quantities: Quantity | Type | Description |
cnoh33 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh33: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh34The COORDINATION action with label cnoh34 calculates the following quantities: Quantity | Type | Description |
cnoh34 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh34: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh35The COORDINATION action with label cnoh35 calculates the following quantities: Quantity | Type | Description |
cnoh35 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh35: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh36The COORDINATION action with label cnoh36 calculates the following quantities: Quantity | Type | Description |
cnoh36 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh36: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh37The COORDINATION action with label cnoh37 calculates the following quantities: Quantity | Type | Description |
cnoh37 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh37: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh38The COORDINATION action with label cnoh38 calculates the following quantities: Quantity | Type | Description |
cnoh38 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh38: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh39The COORDINATION action with label cnoh39 calculates the following quantities: Quantity | Type | Description |
cnoh39 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh39: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh310The COORDINATION action with label cnoh310 calculates the following quantities: Quantity | Type | Description |
cnoh310 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh310: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh311The COORDINATION action with label cnoh311 calculates the following quantities: Quantity | Type | Description |
cnoh311 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh311: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh312The COORDINATION action with label cnoh312 calculates the following quantities: Quantity | Type | Description |
cnoh312 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh312: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh313The COORDINATION action with label cnoh313 calculates the following quantities: Quantity | Type | Description |
cnoh313 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh313: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh314The COORDINATION action with label cnoh314 calculates the following quantities: Quantity | Type | Description |
cnoh314 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh314: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh315The COORDINATION action with label cnoh315 calculates the following quantities: Quantity | Type | Description |
cnoh315 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh315: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh316The COORDINATION action with label cnoh316 calculates the following quantities: Quantity | Type | Description |
cnoh316 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh316: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh317The COORDINATION action with label cnoh317 calculates the following quantities: Quantity | Type | Description |
cnoh317 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh317: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh318The COORDINATION action with label cnoh318 calculates the following quantities: Quantity | Type | Description |
cnoh318 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh318: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh319The COORDINATION action with label cnoh319 calculates the following quantities: Quantity | Type | Description |
cnoh319 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh319: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh320The COORDINATION action with label cnoh320 calculates the following quantities: Quantity | Type | Description |
cnoh320 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh320: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
cnoh321The COORDINATION action with label cnoh321 calculates the following quantities: Quantity | Type | Description |
cnoh321 | scalar | the value of the coordination |
: COORDINATIONCalculate coordination numbers. This action has hidden defaults. 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
cnoh321: COORDINATIONCalculate coordination numbers. This action uses the defaults shown here. 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 MM The m parameter of the switching function; 0 implies 2*NN=0
tcno11The CUSTOM action with label tcno11 calculates the following quantities: Quantity | Type | Description |
tcno11 | scalar | an arbitrary function |
: 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
tcno12The CUSTOM action with label tcno12 calculates the following quantities: Quantity | Type | Description |
tcno12 | scalar | an arbitrary function |
: 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
tcno13The CUSTOM action with label tcno13 calculates the following quantities: Quantity | Type | Description |
tcno13 | scalar | an arbitrary function |
: 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
tcno14The CUSTOM action with label tcno14 calculates the following quantities: Quantity | Type | Description |
tcno14 | scalar | an arbitrary function |
: 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
tcno15The CUSTOM action with label tcno15 calculates the following quantities: Quantity | Type | Description |
tcno15 | scalar | an arbitrary function |
: 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
tcno16The CUSTOM action with label tcno16 calculates the following quantities: Quantity | Type | Description |
tcno16 | scalar | an arbitrary function |
: 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
tcno17The CUSTOM action with label tcno17 calculates the following quantities: Quantity | Type | Description |
tcno17 | scalar | an arbitrary function |
: 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
tcno18The CUSTOM action with label tcno18 calculates the following quantities: Quantity | Type | Description |
tcno18 | scalar | an arbitrary function |
: 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
tcno19The CUSTOM action with label tcno19 calculates the following quantities: Quantity | Type | Description |
tcno19 | scalar | an arbitrary function |
: 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
tcno110The CUSTOM action with label tcno110 calculates the following quantities: Quantity | Type | Description |
tcno110 | scalar | an arbitrary function |
: 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
tcno111The CUSTOM action with label tcno111 calculates the following quantities: Quantity | Type | Description |
tcno111 | scalar | an arbitrary function |
: 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
tcno112The CUSTOM action with label tcno112 calculates the following quantities: Quantity | Type | Description |
tcno112 | scalar | an arbitrary function |
: 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
tcno113The CUSTOM action with label tcno113 calculates the following quantities: Quantity | Type | Description |
tcno113 | scalar | an arbitrary function |
: 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
tcno114The CUSTOM action with label tcno114 calculates the following quantities: Quantity | Type | Description |
tcno114 | scalar | an arbitrary function |
: 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
tcno115The CUSTOM action with label tcno115 calculates the following quantities: Quantity | Type | Description |
tcno115 | scalar | an arbitrary function |
: 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
tcno116The CUSTOM action with label tcno116 calculates the following quantities: Quantity | Type | Description |
tcno116 | scalar | an arbitrary function |
: 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
tcno117The CUSTOM action with label tcno117 calculates the following quantities: Quantity | Type | Description |
tcno117 | scalar | an arbitrary function |
: 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
tcno118The CUSTOM action with label tcno118 calculates the following quantities: Quantity | Type | Description |
tcno118 | scalar | an arbitrary function |
: 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
tcno119The CUSTOM action with label tcno119 calculates the following quantities: Quantity | Type | Description |
tcno119 | scalar | an arbitrary function |
: 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
tcno120The CUSTOM action with label tcno120 calculates the following quantities: Quantity | Type | Description |
tcno120 | scalar | an arbitrary function |
: 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
tcno121The CUSTOM action with label tcno121 calculates the following quantities: Quantity | Type | Description |
tcno121 | scalar | an arbitrary function |
: 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
tcno21The CUSTOM action with label tcno21 calculates the following quantities: Quantity | Type | Description |
tcno21 | scalar | an arbitrary function |
: 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
tcno22The CUSTOM action with label tcno22 calculates the following quantities: Quantity | Type | Description |
tcno22 | scalar | an arbitrary function |
: 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
tcno23The CUSTOM action with label tcno23 calculates the following quantities: Quantity | Type | Description |
tcno23 | scalar | an arbitrary function |
: 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
tcno24The CUSTOM action with label tcno24 calculates the following quantities: Quantity | Type | Description |
tcno24 | scalar | an arbitrary function |
: 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
tcno25The CUSTOM action with label tcno25 calculates the following quantities: Quantity | Type | Description |
tcno25 | scalar | an arbitrary function |
: 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
tcno26The CUSTOM action with label tcno26 calculates the following quantities: Quantity | Type | Description |
tcno26 | scalar | an arbitrary function |
: 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
tcno27The CUSTOM action with label tcno27 calculates the following quantities: Quantity | Type | Description |
tcno27 | scalar | an arbitrary function |
: 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
tcno28The CUSTOM action with label tcno28 calculates the following quantities: Quantity | Type | Description |
tcno28 | scalar | an arbitrary function |
: 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
tcno29The CUSTOM action with label tcno29 calculates the following quantities: Quantity | Type | Description |
tcno29 | scalar | an arbitrary function |
: 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
tcno210The CUSTOM action with label tcno210 calculates the following quantities: Quantity | Type | Description |
tcno210 | scalar | an arbitrary function |
: 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
tcno211The CUSTOM action with label tcno211 calculates the following quantities: Quantity | Type | Description |
tcno211 | scalar | an arbitrary function |
: 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
tcno212The CUSTOM action with label tcno212 calculates the following quantities: Quantity | Type | Description |
tcno212 | scalar | an arbitrary function |
: 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
tcno213The CUSTOM action with label tcno213 calculates the following quantities: Quantity | Type | Description |
tcno213 | scalar | an arbitrary function |
: 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
tcno214The CUSTOM action with label tcno214 calculates the following quantities: Quantity | Type | Description |
tcno214 | scalar | an arbitrary function |
: 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
tcno215The CUSTOM action with label tcno215 calculates the following quantities: Quantity | Type | Description |
tcno215 | scalar | an arbitrary function |
: 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
tcno216The CUSTOM action with label tcno216 calculates the following quantities: Quantity | Type | Description |
tcno216 | scalar | an arbitrary function |
: 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
tcno217The CUSTOM action with label tcno217 calculates the following quantities: Quantity | Type | Description |
tcno217 | scalar | an arbitrary function |
: 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
tcno218The CUSTOM action with label tcno218 calculates the following quantities: Quantity | Type | Description |
tcno218 | scalar | an arbitrary function |
: 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
tcno219The CUSTOM action with label tcno219 calculates the following quantities: Quantity | Type | Description |
tcno219 | scalar | an arbitrary function |
: 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
tcno220The CUSTOM action with label tcno220 calculates the following quantities: Quantity | Type | Description |
tcno220 | scalar | an arbitrary function |
: 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
tcno221The CUSTOM action with label tcno221 calculates the following quantities: Quantity | Type | Description |
tcno221 | scalar | an arbitrary function |
: 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
tcno31The CUSTOM action with label tcno31 calculates the following quantities: Quantity | Type | Description |
tcno31 | scalar | an arbitrary function |
: 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
tcno32The CUSTOM action with label tcno32 calculates the following quantities: Quantity | Type | Description |
tcno32 | scalar | an arbitrary function |
: 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
tcno33The CUSTOM action with label tcno33 calculates the following quantities: Quantity | Type | Description |
tcno33 | scalar | an arbitrary function |
: 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
tcno34The CUSTOM action with label tcno34 calculates the following quantities: Quantity | Type | Description |
tcno34 | scalar | an arbitrary function |
: 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
tcno35The CUSTOM action with label tcno35 calculates the following quantities: Quantity | Type | Description |
tcno35 | scalar | an arbitrary function |
: 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
tcno36The CUSTOM action with label tcno36 calculates the following quantities: Quantity | Type | Description |
tcno36 | scalar | an arbitrary function |
: 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
tcno37The CUSTOM action with label tcno37 calculates the following quantities: Quantity | Type | Description |
tcno37 | scalar | an arbitrary function |
: 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
tcno38The CUSTOM action with label tcno38 calculates the following quantities: Quantity | Type | Description |
tcno38 | scalar | an arbitrary function |
: 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
tcno39The CUSTOM action with label tcno39 calculates the following quantities: Quantity | Type | Description |
tcno39 | scalar | an arbitrary function |
: 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
tcno310The CUSTOM action with label tcno310 calculates the following quantities: Quantity | Type | Description |
tcno310 | scalar | an arbitrary function |
: 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
tcno311The CUSTOM action with label tcno311 calculates the following quantities: Quantity | Type | Description |
tcno311 | scalar | an arbitrary function |
: 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
tcno312The CUSTOM action with label tcno312 calculates the following quantities: Quantity | Type | Description |
tcno312 | scalar | an arbitrary function |
: 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
tcno313The CUSTOM action with label tcno313 calculates the following quantities: Quantity | Type | Description |
tcno313 | scalar | an arbitrary function |
: 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
tcno314The CUSTOM action with label tcno314 calculates the following quantities: Quantity | Type | Description |
tcno314 | scalar | an arbitrary function |
: 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
tcno315The CUSTOM action with label tcno315 calculates the following quantities: Quantity | Type | Description |
tcno315 | scalar | an arbitrary function |
: 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
tcno316The CUSTOM action with label tcno316 calculates the following quantities: Quantity | Type | Description |
tcno316 | scalar | an arbitrary function |
: 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
tcno317The CUSTOM action with label tcno317 calculates the following quantities: Quantity | Type | Description |
tcno317 | scalar | an arbitrary function |
: 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
tcno318The CUSTOM action with label tcno318 calculates the following quantities: Quantity | Type | Description |
tcno318 | scalar | an arbitrary function |
: 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
tcno319The CUSTOM action with label tcno319 calculates the following quantities: Quantity | Type | Description |
tcno319 | scalar | an arbitrary function |
: 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
tcno320The CUSTOM action with label tcno320 calculates the following quantities: Quantity | Type | Description |
tcno320 | scalar | an arbitrary function |
: 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
tcno321The CUSTOM action with label tcno321 calculates the following quantities: Quantity | Type | Description |
tcno321 | scalar | an arbitrary function |
: 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=cno1The CUSTOM action with label cno1 calculates the following quantities: Quantity | Type | Description |
cno1 | scalar | an arbitrary function |
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=cno2The CUSTOM action with label cno2 calculates the following quantities: Quantity | Type | Description |
cno2 | scalar | an arbitrary function |
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=cno3The CUSTOM action with label cno3 calculates the following quantities: Quantity | Type | Description |
cno3 | scalar | an arbitrary function |
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_totThe CUSTOM action with label cno_tot calculates the following quantities: Quantity | Type | Description |
cno_tot | scalar | an arbitrary function |
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
d1The DISTANCES action with label d1 calculates the following quantities: Quantity | Type | Description |
d1 | vector | the DISTANCES between the each pair of atoms that were specified |
d1_min | scalar | the minimum colvar |
: DISTANCESCalculate the distances between multiple piars of atoms This action is a shortcut. 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.}
# d1: DISTANCES GROUPA=2,3,5 GROUPB=9,17,30,43,56,69,82,95,108,121,134,147,160,173,186,199,212,215,238,251,264 MIN={BETA=24.}
d1The DISTANCE action with label d1 calculates the following quantities: Quantity | Type | Description |
d1 | vector | the DISTANCE for each set of specified atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMS1the pair of atom that we are calculating the distance between=2,9 ATOMS2the pair of atom that we are calculating the distance between=2,17 ATOMS3the pair of atom that we are calculating the distance between=2,30 ATOMS4the pair of atom that we are calculating the distance between=2,43 ATOMS5the pair of atom that we are calculating the distance between=2,56
d1_me_minThe CUSTOM action with label d1_me_min calculates the following quantities: Quantity | Type | Description |
d1_me_min | vector | the vector obtained by doing an element-wise application of an arbitrary function to the input vectors |
: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d1 FUNCthe function you wish to evaluate=exp(24./x) PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
d1_mec_minThe SUM action with label d1_mec_min calculates the following quantities: Quantity | Type | Description |
d1_mec_min | scalar | the sum of all the elements in the input vector |
: SUMCalculate the sum of the arguments More details ARGthe values input to this function=d1_me_min PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
d1_minThe CUSTOM action with label d1_min calculates the following quantities: Quantity | Type | Description |
d1_min | scalar | an arbitrary function |
: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d1_mec_min FUNCthe function you wish to evaluate=24./log(x) PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
# --- End of included input ---
metadThe METAD action with label metad calculates the following quantities: Quantity | Type | Description |
metad.bias | scalar | the instantaneous value of the bias potential |
: 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
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