utilities:force2imd
force2imd
Converts a potfit configuration into an IMD checkpoint file.
usage: force2imd [-h] [-n NUMBER] filename
Convert a potfit configuration into an IMD checkpoint file.
positional arguments:
filename name of the potfit config file
optional arguments:
-h, --help show this help message and exit
-n NUMBER, --number NUMBER
number of the configuration to convert
The IMD checkpoint file is written to standard output.
utilities/force2imd.txt ยท Last modified: 2018/01/05 09:43 by daniel
