Update doc/src/compute_count_type.rst

Co-authored-by: Axel Kohlmeyer <akohlmey@gmail.com>
This commit is contained in:
Jacob Gissinger
2024-04-23 23:32:27 -04:00
committed by GitHub
parent f6eeaaef6f
commit b2aed19c88

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@ -80,7 +80,7 @@ atoms like so:
compute typevec all count/type atom # number of atoms of each type compute typevec all count/type atom # number of atoms of each type
variable normtypes vector c_typevec/atoms # divide by total number of atoms variable normtypes vector c_typevec/atoms # divide by total number of atoms
variable ntypes equal extract_setting(ntypes) # number of atom types variable ntypes equal extract_setting(ntypes) # number of atom types
thermo_style custom step v_normtypes[*$(v_ntypes)] # vector variable needs upper limit thermo_style custom step v_normtypes[*${ntypes}] # vector variable needs upper limit
Similarly, bond counts can be normalized by the total number of bonds. Similarly, bond counts can be normalized by the total number of bonds.
The same goes for angles, dihedrals, and impropers (see below). The same goes for angles, dihedrals, and impropers (see below).