GitHub - anthony-wang/compmatscipy

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

Name		Name	Last commit message	Last commit date
Latest commit History 88 Commits
.idea		.idea
compmatscipy		compmatscipy
.DS_Store		.DS_Store
.gitignore		.gitignore
LICENSE.txt		LICENSE.txt
MANIFEST.in		MANIFEST.in
README.md		README.md
setup.py		setup.py

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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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anthony-wang/compmatscipy

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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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