NAME

ccwrite - a command-line interface to cclib

SYNOPSIS

ccwrite [options] [outputtype] [file(s)]

DESCRIPTION

:B ccwrite is a simple command-line interface to cclib that allows one to parse one or more computational chemistry output files and convert them into the given format.

OPTIONS

These options are currently supported:

-t, --terse

CJSON by default is not indented for readability to save space. This option is indented for readability.

-u, --future

Use experimental features (currently optdone_as_list).

-v, --version

Enable more verbose parsing output (only errors by default).

The output format to write can be one of 'json', 'cjson', 'cml', 'xyz' whereas 'json' and 'cjson' are identical. Further one or more computational chemistry output files to parse and convert.

AUTHOR

This manpage was written by Daniel Leidert <dleidert@debian.org> for the Debian distribution (but may be used by others).