obaica / ATAT_VASP

Some of the python scripts I wrote whilst working on my bachelor thesis.

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ATAT_VASP

Some of the python scripts I wrote whilst working on my bachelor thesis. Made for processing, manipulating and converting files used by the Alloy Theoretic Automated Toolkit (ATAT) and the Vienna Ab inition Simulation Package (VASP) for Density Functional Theory (DFT).

They should all work properly, but only for certain types of input files. Most of them have documentation explaining the usage.

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Some of the python scripts I wrote whilst working on my bachelor thesis.


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