Releases: materialsproject/pymatgen
Releases · materialsproject/pymatgen
v3.3.6
- 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
- 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
- Procar now supports parsing of phase factors.
- Miscellaneous bug fixes.
v3.3.2
- Bug fixes for pymatgen.io.abinit
- Other minor big fixes.
v3.3.1
- Minor bug fix release for pickle and elastic constants.
v3.3.0
- Updated and checked for Python 3.5.* compatibility.
v3.2.10
- Fix missing scripts
- Improvements to units module.
- Speed up EwaldSummation.
v3.2.9
- 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.
v3.2.8
- Make pyhull optional.
- Sulfur correction added to MaterialsProjectCompatibility for more accurate
sulfide formation energies.
- ADF io support. (Xin Chen)
- Bug fixes for spacegroup subgroup testing.
v3.2.7
- Add warning for limited subgroup testing functionality in Spacegroup.