atatutils

A set of python scripts for convenient use of ATAT

Name		Name	Last commit message	Last commit date
Latest commit History 52 Commits
.gitignore		.gitignore
LICENSE.md		LICENSE.md
README.md		README.md
__init__.py		__init__.py
clusterexpansion.py		clusterexpansion.py
clusterfileparser.py		clusterfileparser.py
elastic_constants.py		elastic_constants.py
file_parsers.py		file_parsers.py
folder_parser.py		folder_parser.py
genstr.py		genstr.py
gpy_clusterexpansion.py		gpy_clusterexpansion.py
mpdcdataextractor.py		mpdcdataextractor.py
paramz_extensions.py		paramz_extensions.py
phasediagram.py		phasediagram.py
soap.py		soap.py
soap_old.py		soap_old.py
str2emt.py		str2emt.py
str2gpaw.py		str2gpaw.py
submit_batch.py		submit_batch.py
thermodynamics.py		thermodynamics.py

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