bath_generator

This little python script helps with cutting a fragment in a cristal

It works from a cif file

This program need Atomsk to run, you can download it here :

http://atomsk.univ-lille1.fr/index.php

This program also need few python packages:

numpy scipy

Please cite the creator of Atomsk :

Pierre Hirel, Comput. Phys. Comm. 197 (2015) 212

Use it with care, always check the output, it may work differently from what you expect.

I’m not responsible of a missuse of the results given, neither am I of any collateral such as your computer bursting into flame or any physical incident that could result of an improper use of this tool.

Might be a little slow if you try huge systems but it will never be stuck in a loop

Feel free to use, modify it :)

If you detect any bug please send me an e-mail and I’ll try to fix it