Pymatgen

Latest version: v2024.5.1

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2019.1.24

Not secure
* Python 3 only!
* Improvements to local environment code including VESTA bond emulation (utf)
* Update Cohp analysis (JaGEO)
* Updates to Boltztrap2 (fraricci)

2019.1.13

Not secure
* Pymatgen is now Py3 ONLY. If you need Py27 support, please use versions
< 2019.1.1.
* PARCHG parsing from WAVECAR (mturiansky)
* Improvements to defect generation algorithms (dbroberg)
* Simplifications to COHP plotting (JaGeo)

2018.12.12

Not secure
* Support for IUPAC ordering of elements in Composition formulae (utf)
* Various bug fixes including returning integer miller indices, catching negative values in Composition and fixes to graph analysis (utf), fix to Composition serialization (jmmshen), defect analysis (HanmeiTang), removing sites in surfaces (yiming-xu), and fix to support the new PROCAR format in VASP (dkorotin)
* `PMG_MAPI_ENDPOINT` environment variable added to support different endpoints for the Materials Project REST interface (mkhorton)

2018.11.30

Not secure
* MPRester.query now supports bulk queries for large scale requests.
(dwinston)
* MVLRelax52Set which uses VASP 52 pseudopotentials. (HanmeiTang)
* EPH calculations in ABINIT (gmatteo)
* New ScaleToRelaxedTransformation (CifLord)
* New dimensionality finder, and consolidation of existing algorithms (utf)
* New dopant predictor built on structure predictor (utf)
* Misc bug fixes (HanmeiTang, utf, tamuhey, mkhorton, yiming-xu, CifLord)

2018.11.6

Not secure
* Ionic radius based CrystalNN (computron)
* InterfacialReactivity (dbroberg)
* Misc bug fixes

2018.10.18

Not secure
* New bond fragmenter and bond dissociation analysis modules (samblau)
* Improvements to MoleculeGraph (espottesmith)
* Fix: bug in triclinic tensor conversion to IEEE standard (montoyjh)
* Fix: insertion battery summary dictionary format (jmmshn)
* Speed improvements to certain tests (shyuep, samblau)

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