Pymatgen

Latest version: v2024.5.1

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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.

3.0.2

Not secure
1. Consistent use of unicode throughout pymatgen.
2. Minor bug fixes.

3.0.1

Not secure
1. Minor bug fixes for cifio.
2. Py3k updates for abinitio.

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