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

Work still in progress, only work with Sr2IrO4 atm

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

You’ll also need python 2.7 with numpy installed

Feel free to use, modify it :)

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