dujl666's repositories

aflow

Python API wrapping the AFLUX API language for AFLOW library.

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atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

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ELASTIC3rd

Calculate 3rd order elastic constant.

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ElasticPOST

POST code for second order elastic constant

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python-atat

Python wrappers for the Alloy Theoretic Automated Toolkit

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VASPKIT_manual

VASPKIT_manual markdown source!

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