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uw-cmg / MAST

MAterials Simulation Toolkit for use with pymatgen
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incompatible with pymatgen 4.0.2 #448

Closed cmgtam closed 7 years ago

cmgtam commented 8 years ago

Hard restructuring between pymatgen 3 and pymatgen 4 means that pymatgen.io.vaspio.Poscar no longer works; is pymatgen.io.vasp.Poscar (and possibly has a more preferred way of being called).

cmgtam commented 7 years ago

Large compatibility fixes in fix_pymatgen_4 branch: df3768b80af472cfd62fe82bf0a7d90ca8a34b90 519d66c693e909ed51374b93093774a74e5d4bdb 0d52dc64bf2bcb1f42bbaf45b2534ce79eefe667 283db1dc2f78de0bca28c8484a5d4ebc4e7cdb80 c5ab65047d7ccb7912bee86da37c0b412c163ab7 5c3c85aaca1181bcc1db8f449301fdecf564e056 74c8e606a4fc781f877691c49421981c94720519 aac736d21c2e8c41f3eb4673bca04e17bafa55f5 4138b87e5a1038eb65023232f80907333d3196f2 0f63e2c832cc4308598ad9d3aaffc71e553432ed e4b7d888eba65a7ea25e3f7b871a0820ce99436a 6234a5c5c5ffe9bcfb7d23ef579757ae990fae83 87488212d2d3021aea3ea29f1c1b0d001d0a11f2 cba498bbf21e168f511482f6451164e8ad10c48b

cmgtam commented 7 years ago

Testing to pymatgen 4.6.2