Pymatgen

Latest version: v2024.6.10

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2023.1.9

Not secure
* PR 2792 from JaGeo bug_fix
* PR 2773 from ab5424 cbar
* PR 2776 from MichaelWolloch master
* PR 2762 from MichaelWolloch master
* PR 2774 from dgaines2 fix-poscar
* PR 2667 from nwinner volumetric-data-patch
* PR 2764 from naik-aakash lobster_lsodos
* PR 2215 from rkingsbury cmirs
* PR 2742 from materialsproject pip-dependabot
* PR 2741 from materialsproject resurrect-req-txt
* PR 2735 from njzjz patch-1

2022.11.7

Not secure
* PR 2724 from janosh: raise ValueError in SpacegroupAnalyzer.get_symmetrized_structure() if spglib returns no symmetries
* PR 2720 by utf: Fix tensor mapping
* PR 2562 from sudarshanv01: In case the Fock-matrix and eigenvalues are requested by the user (though the flags `scf_final_print` or `scf_print`), outputs.py now allows parsing both these quantities.

2022.11.1

Not secure
* Order of kwargs `fmt` and `filename` in `Structure.to()` swapped for ease of use (note: this can break codes that do not use these options as kwargs).
* yuzie007 Parse "Atomic configuration" in POTCAR (52 and 54). Useful for estimating a reasonable NBANDS value.
* EnumerateStructureTransformation now supports `m3gnet_relax` or `m3gnet_static` options.

2022.10.22

Not secure
* Allow env settings to override .pmgrc.yaml (janosh)
* Add EntryLike type (janosh)
* Update spglib to 2.0+.
* cnncnnzh Method to plot the atom-resolved phonon band structures.
* jmmshn More Flexible reproduction of VASP's optical code
* Ameyanagi Fix the sorting of the FEFF IO module to create ATOMS input.
* JaGeo Extend the ThermalDisplacementMatrices class to read cif files in P1 format.
* rkingsbury Changes to FEFF I/O to support the use of non-periodic input structures.
* jmmshn Merge Waverder and Wavederf
* jmmshn Set the structure_charge while parsing Potcar

2022.9.21

Not secure
* chunweizhu fix the bugs when running `TEMCalculator`
* munrojm Support for new MPRester.

2022.9.8

Not secure
* janosh Add AirssProvider.as_dict
* gpetretto Outcar parsing optimization.
* ScottNotFound Adds res file io to handle results from airss searches
* janosh Fixes the `AttributeError` currently raised when passing disordered structures to methods like `get_cn()` and `get_bonded_structure()` of `CrystalNN` and other `NearNeighbors` subclasses.
* naik-aakash Added new option `standard_with_comp_range` for generating lobsterin files using vasp

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