PLUMED-NEST

Project ID: plumID:21.015
Source: MetaD/CBM5/post_processing/coordination-groups.dat
Originally used with PLUMED version: 2.5
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

RESTARTActivate restart. More details
The RESTART action with label  calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=721-887

C1: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=721-722 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C1 calculates the following quantities:
 Quantity   
 Description  
C1.value
the value of the coordinationC2: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=723-724 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C2 calculates the following quantities:
 Quantity   
 Description  
C2.value
the value of the coordinationC3: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=725-726 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C3 calculates the following quantities:
 Quantity   
 Description  
C3.value
the value of the coordinationC4: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=727-728 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C4 calculates the following quantities:
 Quantity   
 Description  
C4.value
the value of the coordinationC5: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=729-729 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C5 calculates the following quantities:
 Quantity   
 Description  
C5.value
the value of the coordinationC6: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=730-731 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C6 calculates the following quantities:
 Quantity   
 Description  
C6.value
the value of the coordinationC7: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=732-733 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C7 calculates the following quantities:
 Quantity   
 Description  
C7.value
the value of the coordinationC8: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=734-735 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C8 calculates the following quantities:
 Quantity   
 Description  
C8.value
the value of the coordinationC9: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=736-737 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C9 calculates the following quantities:
 Quantity   
 Description  
C9.value
the value of the coordinationC10: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=738-743 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C10 calculates the following quantities:
 Quantity   
 Description  
C10.value
the value of the coordinationC11: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=744-745 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C11 calculates the following quantities:
 Quantity   
 Description  
C11.value
the value of the coordinationC12: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=746-746 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C12 calculates the following quantities:
 Quantity   
 Description  
C12.value
the value of the coordinationC13: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=747-748 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C13 calculates the following quantities:
 Quantity   
 Description  
C13.value
the value of the coordinationC14: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=749-750 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C14 calculates the following quantities:
 Quantity   
 Description  
C14.value
the value of the coordinationC15: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=751-752 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C15 calculates the following quantities:
 Quantity   
 Description  
C15.value
the value of the coordinationC16: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=753-757 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C16 calculates the following quantities:
 Quantity   
 Description  
C16.value
the value of the coordinationC17: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=758-759 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C17 calculates the following quantities:
 Quantity   
 Description  
C17.value
the value of the coordinationC18: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=760-761 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C18 calculates the following quantities:
 Quantity   
 Description  
C18.value
the value of the coordinationC19: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=762-763 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C19 calculates the following quantities:
 Quantity   
 Description  
C19.value
the value of the coordinationC20: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=764-765 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C20 calculates the following quantities:
 Quantity   
 Description  
C20.value
the value of the coordinationC21: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=766-767 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C21 calculates the following quantities:
 Quantity   
 Description  
C21.value
the value of the coordinationC22: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=768-769 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C22 calculates the following quantities:
 Quantity   
 Description  
C22.value
the value of the coordinationC23: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=770-772 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C23 calculates the following quantities:
 Quantity   
 Description  
C23.value
the value of the coordinationC24: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=773-776 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C24 calculates the following quantities:
 Quantity   
 Description  
C24.value
the value of the coordinationC25: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=777-778 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C25 calculates the following quantities:
 Quantity   
 Description  
C25.value
the value of the coordinationC26: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=779-780 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C26 calculates the following quantities:
 Quantity   
 Description  
C26.value
the value of the coordinationC27: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=781-783 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C27 calculates the following quantities:
 Quantity   
 Description  
C27.value
the value of the coordinationC28: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=784-786 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C28 calculates the following quantities:
 Quantity   
 Description  
C28.value
the value of the coordinationC29: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=787-791 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C29 calculates the following quantities:
 Quantity   
 Description  
C29.value
the value of the coordinationC30: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=792-793 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C30 calculates the following quantities:
 Quantity   
 Description  
C30.value
the value of the coordinationC31: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=794-794 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C31 calculates the following quantities:
 Quantity   
 Description  
C31.value
the value of the coordinationC32: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=795-796 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C32 calculates the following quantities:
 Quantity   
 Description  
C32.value
the value of the coordinationC33: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=797-801 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C33 calculates the following quantities:
 Quantity   
 Description  
C33.value
the value of the coordinationC34: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=802-807 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C34 calculates the following quantities:
 Quantity   
 Description  
C34.value
the value of the coordinationC35: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=808-809 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C35 calculates the following quantities:
 Quantity   
 Description  
C35.value
the value of the coordinationC36: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=810-811 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C36 calculates the following quantities:
 Quantity   
 Description  
C36.value
the value of the coordinationC37: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=812-813 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C37 calculates the following quantities:
 Quantity   
 Description  
C37.value
the value of the coordinationC38: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=814-815 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C38 calculates the following quantities:
 Quantity   
 Description  
C38.value
the value of the coordinationC39: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=816-817 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C39 calculates the following quantities:
 Quantity   
 Description  
C39.value
the value of the coordinationC40: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=818-819 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C40 calculates the following quantities:
 Quantity   
 Description  
C40.value
the value of the coordinationC41: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=820-821 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C41 calculates the following quantities:
 Quantity   
 Description  
C41.value
the value of the coordinationC42: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=822-823 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C42 calculates the following quantities:
 Quantity   
 Description  
C42.value
the value of the coordinationC43: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=824-825 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C43 calculates the following quantities:
 Quantity   
 Description  
C43.value
the value of the coordinationC44: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=826-827 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C44 calculates the following quantities:
 Quantity   
 Description  
C44.value
the value of the coordinationC45: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=828-828 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C45 calculates the following quantities:
 Quantity   
 Description  
C45.value
the value of the coordinationC46: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=829-830 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C46 calculates the following quantities:
 Quantity   
 Description  
C46.value
the value of the coordinationC47: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=831-835 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C47 calculates the following quantities:
 Quantity   
 Description  
C47.value
the value of the coordinationC48: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=836-836 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C48 calculates the following quantities:
 Quantity   
 Description  
C48.value
the value of the coordinationC49: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=837-838 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C49 calculates the following quantities:
 Quantity   
 Description  
C49.value
the value of the coordinationC50: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=839-844 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C50 calculates the following quantities:
 Quantity   
 Description  
C50.value
the value of the coordinationC51: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=845-846 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C51 calculates the following quantities:
 Quantity   
 Description  
C51.value
the value of the coordinationC52: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=847-848 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C52 calculates the following quantities:
 Quantity   
 Description  
C52.value
the value of the coordinationC53: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=849-850 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C53 calculates the following quantities:
 Quantity   
 Description  
C53.value
the value of the coordinationC54: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=851-851 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C54 calculates the following quantities:
 Quantity   
 Description  
C54.value
the value of the coordinationC55: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=852-853 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C55 calculates the following quantities:
 Quantity   
 Description  
C55.value
the value of the coordinationC56: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=854-855 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C56 calculates the following quantities:
 Quantity   
 Description  
C56.value
the value of the coordinationC57: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=856-857 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C57 calculates the following quantities:
 Quantity   
 Description  
C57.value
the value of the coordinationC58: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=858-859 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C58 calculates the following quantities:
 Quantity   
 Description  
C58.value
the value of the coordinationC59: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=860-861 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C59 calculates the following quantities:
 Quantity   
 Description  
C59.value
the value of the coordinationC60: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=862-862 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C60 calculates the following quantities:
 Quantity   
 Description  
C60.value
the value of the coordinationC61: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=863-863 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C61 calculates the following quantities:
 Quantity   
 Description  
C61.value
the value of the coordinationC62: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=864-867 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C62 calculates the following quantities:
 Quantity   
 Description  
C62.value
the value of the coordinationC63: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=868-871 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C63 calculates the following quantities:
 Quantity   
 Description  
C63.value
the value of the coordinationC64: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=872-875 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C64 calculates the following quantities:
 Quantity   
 Description  
C64.value
the value of the coordinationC65: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=876-879 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C65 calculates the following quantities:
 Quantity   
 Description  
C65.value
the value of the coordinationC66: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=880-883 R_0The r_0 parameter of the switching function=0.3
The COORDINATION action with label C66 calculates the following quantities:
 Quantity   
 Description  
C66.value
the value of the coordinationC67: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=1-720 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=884-887 R_0The r_0 parameter of the switching function=0.3

The COORDINATION action with label C67 calculates the following quantities:
 Quantity   
 Description  
C67.value
the value of the coordinationPRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=* STRIDE the frequency with which the quantities of interest should be output=1 FILEthe name of the file on which to output these quantities=COORDINATION RESTARTallows per-action setting of restart (YES/NO/AUTO)=NO