to_xyz
By Pierre Beaujean (pierre.beaujean@unamur.be).
Version 0.1 (Development).
Synopsis
to_xyz -
Convert any chemistry file that contain a geometry to a xyz file
usage: to_xyz [-h] [-v] [infile]
Positional arguments:
- infile
source of the derivatives
Optional arguments:
- -h, --help
show this help message and exit
- -v, --version
show program’s version number and exit
More information
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