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
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with cert...
Bug fixes for SpacegroupAnalyzer and SlabGenerator. Much faster normal vec search
PointGroupAnalyzer now allows for symmetrization of molecules. (@mcocdawc) QuasiharmonicDebyeApprox ...
Make pyhull optional. Sulfur correction added to MaterialsProjectCompatibility for more accurate sul...
Improve support for alternative settings in SpaceGroup. Fix respect for user_incar_settings in MPNon...
Massive update with many deprecated methods removed. Note that this may break backwards incompatibil...
Major PD stability improvements, especially for very high dim hulls with lots of entries. Improvemen...
Pymatgen no longer depends on pyhull. MPRester method to get interface reaction kinks between two re...
Dependency cleanup. Now, basic pymatgen requires on much fewer packages. Fixed reading of POSCAR fil...
Improve Spacegroup class support for alternative settings. Add a get_settings class method. Improvem...
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
Fix to composition handling in MolecularOrbitals (@dyllamt) Fix to allow mixed compressed/uncompress...
Massive update to abinit support. Note that pymatgen.io.abinitio has been refactored to pymatgen.io...
Completely revamped symmetry package. The finder.SymmetryFinder and pointgroup and spacegroup module...
Extensive support for elasticity tensor analysis (Joseph Montoya). Misc bug fixes and performance im...
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with cert...
Bug fixes for SpacegroupAnalyzer and SlabGenerator. Much faster normal vec search
PointGroupAnalyzer now allows for symmetrization of molecules. (@mcocdawc) QuasiharmonicDebyeApprox ...
Make pyhull optional. Sulfur correction added to MaterialsProjectCompatibility for more accurate sul...
Improve support for alternative settings in SpaceGroup. Fix respect for user_incar_settings in MPNon...
Massive update with many deprecated methods removed. Note that this may break backwards incompatibil...
Major PD stability improvements, especially for very high dim hulls with lots of entries. Improvemen...
Pymatgen no longer depends on pyhull. MPRester method to get interface reaction kinks between two re...
Dependency cleanup. Now, basic pymatgen requires on much fewer packages. Fixed reading of POSCAR fil...
Improve Spacegroup class support for alternative settings. Add a get_settings class method. Improvem...
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
Fix to composition handling in MolecularOrbitals (@dyllamt) Fix to allow mixed compressed/uncompress...
Massive update to abinit support. Note that pymatgen.io.abinitio has been refactored to pymatgen.io...
Completely revamped symmetry package. The finder.SymmetryFinder and pointgroup and spacegroup module...
Extensive support for elasticity tensor analysis (Joseph Montoya). Misc bug fixes and performance im...
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with cert...
Bug fixes for SpacegroupAnalyzer and SlabGenerator. Much faster normal vec search
PointGroupAnalyzer now allows for symmetrization of molecules. (@mcocdawc) QuasiharmonicDebyeApprox ...