Pymatgen

Latest version: v2024.5.1

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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

2022.8.23

Not secure
* Structure Graphs from Lobster Data (JaGeo)
* Added 'get_orbit_and_generators'-method to SpaceGroup class (nheinsdorf)
* Class to handle Thermal displacements matrices (JaGeo)
* Change default number of significant digits to write VASP POSCAR (henriquemiranda)
* Misc bug fixes.

2022.7.25

Not secure
* Implemented sufficient methods for new MPRester to cover about 70-80% of common use cases.

2022.7.24.1

Not secure
* Implementation changed to allow seamless use of MPRester regardless of whether new or old API key is used.

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