Crystal-MET/README.md

# bath_generator
This little python script helps with cutting a fragment in a crystal

This program needs a few python packages:

numpy
scipy


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
Initial commit 2019-03-15 10:59:16 +01:00			`# bath_generator`
Removed dependency from atomsk 2019-04-30 11:57:26 +02:00			`This little python script helps with cutting a fragment in a crystal`
Update README.md 2019-03-15 11:01:24 +01:00
Removed dependency from atomsk 2019-04-30 11:57:26 +02:00			`This program needs a few python packages:`
Guess it is the real release 2019-04-17 15:06:53 +02:00
			`numpy`
			`scipy`

README update 2019-03-19 15:43:06 +01:00
			`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.`

Update README.md 2019-03-15 11:01:24 +01:00
First version of the code 2019-03-15 11:04:19 +01:00
Findfrag and eivgen still work only with Sr2IrO4 2019-03-19 14:52:21 +01:00			`Might be a little slow if you try huge systems but it will never be stuck in a loop`
First version of the code 2019-03-15 11:04:19 +01:00

Update README.md 2019-03-15 11:01:24 +01:00			`Feel free to use, modify it :)`

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