Pymatgen

Latest version: v2024.6.10

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2018.8.10

Not secure
* Bug fix for pymatgen.analysis.gb and pymatgen.io.lammps.

2018.8.7

Not secure
* Massive refactoring of LAMMPS support. (adengz)
* Allow kwargs passthrough for Structure.to.
* Updates to ABINIT support (gmatteo)
* GrainBoundaryTransformation class. (Tinaatucsd)

2018.7.15

Not secure
* Grain boundary generator (Xiangguo Li ucsdlxg)
* Massive updates to defect code and new DefectTransformation
(shyamd)
* Bug fix for OUTCAR parsing with more than one space in
electrostatic potential.
* get_fermi_interextrapolated to support wider range of
input doping (albalu)
* Update to cython compile to support Py3.7.
* Update VoronoiNN cutoff dynamically (computron)

2018.6.27

Not secure
* Improved local_env and MoleculeGraph (WardLT, espottesmith)
* Improve BabelMolAdaptor with conformer search and other functions (Qi-Max)
* Improved surface analysis (CifLord)

2018.6.11

Not secure
* Updates to ABINIT support for 8.1.3
* Updates to Interface analyzer.
* Fix bug in deserialization of ComputedStructureEntry.
* Misc bug fixes.

2018.5.22

Not secure
* Misc bug fixes.

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