anthony-wang / compmatscipy

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Some classes that have resulted from Chris Bartel's projects or have helped complete those projects

Installation instructions:

navigate to compmatscipy/

python setup.py install

Please consider citing:

for PerovskiteStability: https://arxiv.org/abs/1801.07700 (Sci. Adv. coming soon)

for PredictGibbsEnergy: Nature communications 9 (1), 4168 (2018) https://doi.org/10.1038/s41467-018-06682-4

for HelpWithVASP (COHP analysis): https://arxiv.org/abs/1809.09202

for HullAnalysis: npj Computational Materials 5, 4 (2019) https://doi.org/10.1038/s41524-018-0143-2

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License:MIT License


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Language:Python 100.0%