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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