Pymatgen

Latest version: v2024.6.10

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2019.8.14

Not secure
* Update DOSCAR from lobster (JaGEO)
* PerturbStructureTransformation (rees-c)
* Misc bug fixes.

2019.7.30

Not secure
* Bug fixes (shyuep, mfherbst)
* More type hint annotations (shyuep)
* Improvements to BabelMolAdaptor (smheidrich)
* Convenience Transformations for AdsorbateSiteFinder (mkhorton)

2019.7.21

Not secure
* Add CubicSupercellTransformation and PerturbedSupercellsTransformation (rees-c, utf)
* Add interface for ShengBTE (rees-c, utf)
* Add interface for Vampire (ncfrey)
* Improved Lobster interface (JaGeo)
* Bug fixes (sthartman, dwinston, utf)
* New functionality for calculation of Heisenberg exchange parameters (ncfrey)
* Improvements to Miller indices handling and Lattice (CifLord)

2019.7.2

Not secure
* Improvements to grain boundary transformations and Rester (Tinaatucsd)
* Improvements to AdsorbateSiteFinder (oxana-a)
* Improvements to Waveder support (JRSuckert)
* Improvements to run type detection (darnoceloc)
* Add XAS data to Rester (yimingchen95)
* Fix to ATAT input/output (dongsenfo)
* Initial support for Prismatic input (mkhorton)

2019.6.20

Not secure
* New interface class (sivonxay, kylebystrom, shyamd)
* Updates to SlabGenerator (CifLord)
* Updates to PiezoTensor (dongsenfo)
* Add support for parsing on-site density matrix to Outcar (mkhorton, mhsiron, clegaspi)
* Fixes for magnetic space groups (simonward86)
* Fixes for Lobster class (JaGeo)
* Fix for FEFF (stevetorr)
* Fix for Waveder (JRSuckert)

2019.6.5

Not secure
* Linear scaling get_all_neighbors. Tested to be faster for > 100 atoms (chc273).
* Lobsterin class to handle input for Lobster (JaGeo).
* Strict options for composition parsing (mkhorton).
* Bug fix for CovalentBondNN.get_bonded_structure (lan496).

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