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v3.0.5
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@shyuep shyuep released this 02 Oct 15:19
· 18292 commits to master since this release
v3.0.5
54ae09a
  • 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)

v3.0.4

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