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atomate2
atomate2 is a library of computational materials science workflows
https://materialsproject.github.io/atomate2/
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TI renormalization
#8
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hrushikesh-s
opened
4 months ago
hrushikesh-s
commented
4 months ago
Implement TI renormalization scheme from Junsoo's new paper
[ ] Thermodynamic integration scheme
Implement TI renormalization scheme from Junsoo's new paper