NAME¶

cif_reduce_cell - perform reductions of the unit cell using different algorithms.

SYNOPSIS¶

cif_reduce_cell --options input1.cif input*.cif

DESCRIPTION¶

Perform reductions of the unit cell using different algorithms.

OPTIONS¶

--use-perl-parser
Use Perl parser for CIF parsing.

--use-c-parser
Use Perl & C parser for CIF parsing (default).

-F, --float-format "%15.12f"
Specify format to print out floating point numbers.

-C, --cell-format "%15.12f"
Specify format to print out floating point numbers for
atomic coordinates.

-e, --epsilon 1E-6
Tolerance to compare cell parameter equality in cell
reductions.

--debug, --no-debug
Turn on/off the debug prints of reduction algorithm.
Default: off.

--help, --usage
Output a short usage message (this message) and exit.

--version
Output version information and exit.

REPORTING BUGS¶

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