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utilities:force2poscar

force2poscar


Convert a potfit configuration into a VASP POSCAR file.

usage: force2poscar [-h] [-n NUMBER] filename

Convert a potfit configuration into a VASP POSCAR 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 VASP POSCAR data is written to standard output.

utilities/force2poscar.txt ยท Last modified: 2018/01/05 09:49 by daniel