Pymatgen

Latest version: v2024.6.10

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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.

3.0.6

Not secure
* Cost analysis module (Anubhav Jain)
* More Py3k fixes.
* Extensive abinitio updates (Matteo).

3.0.5

Not secure
* Completely revamped symmetry package. The finder.SymmetryFinder and
pointgroup and spacegroup modules are now deprecated. Instead,
all symmetry analysis is in the :module:`pymatgen.symmetry.analyzer`_
module. There is also a completely rewritten support for symmetry groups in
:module:`pymatgen.symmetry.groups`_. Structure now supports a static
constructor to generate a structure from a spacegroup (see examples).
* BatteryAnalyzer class (Anubhav Jain) to provide for some common analysis of
intercalation electrodes.
* Minor bug fixes for structure_matcher, lattice, abinitio.
* MOAB qadapter for abinit. (Liam Damewood)

3.0.4

Not secure
* Fix missing structures json data.

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