Pymatgen

Latest version: v2025.3.10

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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.

3.0.3

Not secure
* Updates to DiffusionAnalyzer for more fine-grained statistics.
* Bug fixes and tweaks to linear assignment
* Improved PymatgenTest class which provides a suite of test structures.
* Speedups to Phase Diagram
* Lots of improvements to Gaussian support (Nicolas Dardenne) and Abinit IO
(Matteo).
* Lots of Py3k minor updates.
* Updated doc for Diffusion analyzer. Invert sq_disp_ions for more intuitive handling.

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