Pymatgen

Latest version: v2024.6.10

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2020.4.29

Not secure
* Improved SQS caller. (rwoodsrobinson)
* VolumetricData speedup (mturiansk)
* Misc bug fixes

2020.4.2

Not secure
* New high-symmetry k-path algorithm (munrojm, kt-latimer)
* New TEM diffraction calculator (welltemperedpaprika, thefrankwan, shyamd)
* New plotly plotting option for Wulff shapes (CifLord)
* Improvements to SQS caller (rwoodsrobinson)
* Various bug fixes and improvements (mfherbst, chc273,
jacksund, espottesmith, hongyi-zhao, montoyjh,
dongsenfo, dynikon) including significant BrunnerNN, EconNN fixes (utf),
see individual pull requests for details.

2020.3.13

Not secure
* Added angle_tolerance to CifWriter.
* Change default float precision in CifWriter to 8. Adds float_prec kwarg to
allow setting of arbitrary precision.
* Rudimentary pymatgen.io.vasp.help.VaspDoc class for obtaining help from VASP wiki.
* Massive documentation cleanup.
* Reorganization of Entry, ComputedEntry (ayushsgupta).
* Bug fix for PourbaixDiagram (montoyjh).
* Read WAVECAR from gamma-point only VASP executable. (bernstei)

2020.3.2

Not secure
* New MonteCarloRattleTransformation and phonopy integration (utf)
* New structure connectivity features in Chemenv analysis (davidwaroquiers)
* Bug fixes (CifLord, chc273, JaGeo, dskoda, rkingsbury,
jmmshn, espottesmith, gVallverdu, yimingchen95, fraricci)

2020.1.28

Not secure
* Plugin architecture for pymatgen.
* Improvements to pymatgen.analysis.xas.spectrum.XAS class. (yiming)
* Fixes for ISYM uniform bug and auto-NEDSO (fraricci)
* Improvements to ReactionDiagram.
* Chemenv improvements (davidwaroquiers)
* Misc bug fixes.

2020.1.10

Not secure
* New connectivity analysis in Chemenv (davidwaroquiers)
* Improvements to DOSPlotter (uthpalah)
* Improvements to writing VASP input sets (rkingsbury)
* Bug fix for PhaseDiagram (montoyjh)

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