materialsproject pymatgen Discussions
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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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You must be logged in to vote Debye temperature calculation formula in the QuasiharmonicDebyeApprox class
needs discussionNeeds discussion to agree on actionable next steps analysisConcerning pymatgen.analysis -
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enhancementPROCARParsingA new feature or improvement to an existing one ioInput/output functionality vaspVienna Ab initio Simulation Package -
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You must be logged in to vote kernel die while importing MPRester/matproj
invalidUser error/mistake -
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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questionhashofpymatgen.analysis.reaction_calculator.BalancedReactionis hardcoded as int7?Questions about functionality and design choices analysisConcerning pymatgen.analysis hashHashing related issues -
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You must be logged in to vote How to find a Decomposition of unstable compound into stable compounds (Pymatgen, materials project)
helpQ&A support-style issues -
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docsDocumentation, examples, user guides uxUser experience -
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You must be logged in to vote VASP PBE 6.4 pseudopotentials
vaspVienna Ab initio Simulation Package -
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You must be logged in to vote Modify sligthly CifWriter to handle material structure data stacking in one file
feature requestRequest for a new feature cifCrystallographic information file -
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