symop_build_spacegroup1
Determine a space group from a list of symmetry operators (generators), using the ralf's (ralf grosse-kunstleve) algorithm.
Usage
symop_build_spacegroup <
input.symop
symop_build_spacegroup input.symop
symop_build_spacegroup input.symop
additional*.symop
Overview
Determine a space group from a list of symmetry operators (generators), using the Ralf's (Ralf Grosse-Kunstleve) algorithm.
Options
-o, --use-optimised-spacegroup-builder
Use the space group builder algorithm optimised
for speed as implemented in the
COD::Spacegroups::Builder module (default).
-s, --use-simple-spacegroup-builder
Use the simpler and slower space group builder
algorithm as implemented in the
COD::Spacegroups::SimpleBuilder module.
--debug
Switch on debug printouts.
--no-debug
Switch of debug printouts (default).
--help, --usage
Output a short usage message (this message) and exit.
--version
Output version information and exit.
Releases
4 releases since Debian 10 (Buster); the text changed 2 times.