Pymatgen

Latest version: v2024.5.1

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3.0.13

Not secure
* Bug fix for parsing certain types of CIFs.
* MPRester now has get_materials_id_references helper method.
* Minor fix for Vasprun.final_energy.
* Added mp_decode option to MPRester.query to allow option to not decode into
pymatgen objects.
* New POTCAR hash scheme to more robustly identify unique POTCARs.
* Link to <http://bit.ly/materialsapi> for information on Materials API
document schema for use with MPRester.query method.

3.0.11

Not secure
* Lots of abinitio improvements (Matteo).
* Added mp_decode option to MPRester.query to allow option to not decode into pymatgen objects.

3.0.10

Not secure
* Fix Cartesian coord parsing in Poscar class.
* Vasprun now works with non-GGA PBE runs
* Misc bug fixes

3.0.9

Not secure
* Major bug fixes for CIF parsing (Will Richards).
* Support for {Li,Na} syntax in parse_criteria for MPRester.
* Additional example notebook for ordering and enumeration.
* More robust checking for oxidation states in EnumerateStructureTRansformation.
* Improvements to Slab polarity checking.

3.0.8

Not secure
* Massive update to abinitio (Matteo).
* Improvements to OUTCAR parsing (Ioannis Petousis).

3.0.7

Not secure
* Powerful Slab generation algorithms (beta!).
* Improvements to DiffusionAnalyzer with constant smoothing option.
* Significantly improve look of DOS plots using prettyplotlib.

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