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SYMOP_BUILD_SPACEGROUP(1) General Commands Manual SYMOP_BUILD_SPACEGROUP(1)

NAME

symop_build_spacegroup - determine a space group from a list of symmetry operators (generators), using the Ralf's (Ralf Grosse-Kunstleve) algorithm.

SYNOPSIS

symop_build_spacegroup < input.symop

symop_build_spacegroup input.symop

symop_build_spacegroup input.symop additional*.symop

DESCRIPTION

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.

REPORTING BUGS

Report symop_build_spacegroup bugs using e-mail: cod-bugs@ibt.lt