* 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.
3.2.8
Not secure
* 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.
3.2.7
Not secure
* Add warning for limited subgroup testing functionality in Spacegroup.
3.2.6
Not secure
* Extensive support for elasticity tensor analysis (Joseph Montoya). * Misc bug fixes and performance improvements. * Add support for QChem4.3 new format of Batch jobs
3.2.5
Not secure
* 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.
3.2.4
Not secure
* GaussianOutput can now parse frequencies, normal modes and Cartesian forces (Xin Chen). * Support for Aiida<->pymatgen conversion by the Aiida development team (Andrius Merkys). * Specialized BSVasprun parser that is ~2-3x faster than Vasprun. * Refactor the boltztrap package (merge a few methods together) and add several new methods (power factor, seebeck...) * Support of the new PCM format in QChem 4.3 * Local environment analysis to pmg script. * Deprecate prettytable in favor of tabulate package. * Improvements to MITNEBVaspInputSet. * Misc bug fixes.