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Releases: materialsproject/pymatgen

v3.5.0

21 Apr 04:08
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  • Chemical environment analysis package (David Waroquiers).
  • Piezoelectric property analysis (Shayam).

v3.4.0

01 Apr 22:51
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v3.4.0 release

Former-commit-id: 553e03504d23c984279e64cc9a84a6981e404d22 [formerly d623aeaab050e731a278d3032125ccab2d91d615]
Former-commit-id: 0bfca61ee77fedcb01ef5603b9d87d0e0c4f1fce

v3.3.6

18 Mar 14:28
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  • Update to use enum.x instead of multienum.x.
  • Minor robustness fixes to VaspInputSet serialization.
  • Add a reciprocal density parameter to vasp sets.
  • Minor bug fixes to Vasprun parsing.

v3.3.5

19 Feb 18:26
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  • StructureMatcher can now work with ignored species.
  • Added interpolation failure warnings and smooth tolerance for
    scipy.interpolate.splrep in bandstructures (Tess).
  • Added DiffusionAnalyzer.get_framework_rms_plot.

v3.3.4

19 Jan 21:32
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  • Procar now supports parsing of phase factors.
  • Miscellaneous bug fixes.

v3.3.2

11 Jan 14:58
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  • Bug fixes for pymatgen.io.abinit
  • Other minor big fixes.

v3.3.1

05 Jan 00:39
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  • Minor bug fix release for pickle and elastic constants.

v3.3.0

03 Jan 23:50
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  • Updated and checked for Python 3.5.* compatibility.

v3.2.10

15 Dec 14:59
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  • Fix missing scripts
  • Improvements to units module.
  • Speed up EwaldSummation.

v3.2.9

12 Dec 15:51
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  • 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.