Pymatgen

Latest version: v2024.6.10

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3.3.1

Not secure
* Minor bug fix release for pickle and elastic constants.

3.3.0

Not secure
* Updated and checked for Python 3.5.\* compatibility.
* Element, Spin, Orbital and various other Enum-like classes are now actually
implemented using Enum (with enum34 dependency for Python < 3.4).
* Speed up Site creation by 20% for ordered sites, with cost in terms of
slightly slower non-ordered Sites. Since ordered Sites is the far more common
case, this gives significant boost for large scale manipulations of
structures.
* Alternative, more pythonic syntax for creating supercells via simply
Structure _3 or Structure_ (3, 1, 1).
* zeo++ fixes.
* More stable incar settings for MITMDVaspInputSet.

3.2.10

Not secure
* Fix missing scripts
* Improvements to units module.
* Speed up EwaldSummation.

3.2.9

Not secure
* Major PD stability improvements, especially for very high dim hulls with lots
of entries.
* Improvements to Ewald summation to be close to GULP implementation.
* Deprecate physical constants module in favor of scipy's version.
* Remove many pyhull references to use scipy's ConvexHull implementation.
* Bug fix for sulfide correction.

3.2.8

Not secure
* Make pyhull optional.
* Sulfur correction added to MaterialsProjectCompatibility for more accurate
sulfide formation energies.
* ADF io support. (Xin Chen)
* Bug fixes for spacegroup subgroup testing.

3.2.7

Not secure
* Add warning for limited subgroup testing functionality in Spacegroup.

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