Pymatgen

Latest version: v2024.6.10

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4.7.1

Not secure
* Pathfinder speedup
* Minor bug fix for plots.

4.7.0

Not secure
* Improvements to BSDOSPlotter.
* Enhancements to Phase diagram analysis and reaction calculator.
* Enhancements to surface slab and adsorption. (Richard and Joey)
* Support NpT ensemble in diffusion analysis.

4.6.2

Not secure
* Improve Spacegroup class support for alternative settings. Add a get_settings class method.
* Improvements to FEFF support.
* Improvements to EOS class.

4.6.1

Not secure
* Phonon bandstructure plotting and analysis. (Guido Petretto)
* New capabilities for performing adsorption on slabs. (Joey Montoya)
* Remove pathlib dependency.

4.6.0

Not secure
* Improve support for alternative settings in SpaceGroup.
* Fix respect for user_incar_settings in MPNonSCFSet and MPSOCSet
* Support for argcomplete in pmg script.
* Speed ups to Ewald summation.
* Add functionality to parse frequency dependent dielectric function.
* Improvements to Bolztrap support.

4.5.7

Not secure
* PMG settings are now prefixed with PMG\_ to ensure proper namespacing.
* Improve error output in command line bader caller.
* Add Py3.6 classifier.
* Misc bug fixes.

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