Releases: materialsproject/pymatgen
Releases · materialsproject/pymatgen
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.
v3.2.6
- Extensive support for elasticity tensor analysis (Joseph Montoya).
- Misc bug fixes and performance improvements.
- Add support for QChem4.3 new format of Batch jobs
v3.2.5
- Improved potcar setup via "pmg setup", with MAPI setup.
- Support for new POTCARs issued by VASP.
- Improvements to ABINIT support.
- Improvement to Boltztrap support, e.g., scissor band gap, etc.
- Vasprun now issues warning when unconverged run is detected.