equivalentAtoms.rb

This can find atoms on equivalent sites. This requires syminfo.yaml, so symmetry check by fropho has to be done in advance.

usage

	equivalentAtoms.rb [OPTIONS] [syminfo.yaml]

option

-p, --primitive

Use primitive symmetry information in symminfo.yaml

--syminfo

Set arbitral symminfo.yaml file

-s, --symprec

Symmetry check torrelance

default = 1e-2