.TH CODXYZ2FRACT 1
.SH NAME
codxyz2fract \- take an XYZ format [1] molecular file and convert orthogonal coordinates to fractional ones. Unit cell constants can be given as command line option parameters. [1] https://en.wikipedia.org/wiki/XYZ_file_format

.SH SYNOPSIS
codxyz2fract \-\-options inputs*.xyz

codxyz2fract \-\-options < inp.xyz

.SH DESCRIPTION
Take an XYZ format [1] molecular file and convert orthogonal coordinates
to fractional ones. Unit cell constants can be given as command line option
parameters.

[1] https://en.wikipedia.org/wiki/XYZ_file_format

.SH OPTIONS
\-c, \-\-cell "10 10 10 90 90 90"
                  Specify unit cell for conversion.


\-l, \-\-lattice "0.1 0 0  0 0.2 0  0 0 0.15"
                  Specify unit cell vectors in ortho frame for conversion.


\-f, \-\-float\-format "%21.14e"
                  Specify format for floating point output.
                  For Perl, a usual "printf" format can be given.

\-H, \-\-human\-readable
                  Use format "%12.6f" for better human readability.

\-M, \-\-machine\-readable
                  Use format "%21.14e" to maintain precision. Default.


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

\-\-version
                  Output version information and exit.

.SH "REPORTING BUGS"
Report codxyz2fract bugs using e\-mail: cod\-bugs@ibt.lt