materialsproject pymatgen General Discussions
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You must be logged in to vote Relation between mat.elastic_tensor.ieee_format and mat.elastic_tensor.raw
best practiceDiscussion/changes of best practices -
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You must be logged in to vote Parsing of magnetic moments and penalty energies from OSZICARs
enhancementA new feature or improvement to an existing one -
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You must be logged in to vote How to Calculate Grid Density for Given kspacing in Pymatgen?
helpQ&A support-style issues -
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enhancementPROCARParsingA new feature or improvement to an existing one ioInput/output functionality vaspVienna Ab initio Simulation Package -
You must be logged in to vote [Dev] Is there a better way than carry the binary and lib for
uxGULPin the source code and package?User experience pkgPackage health and distribution related stuff -
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