Support for HDF5 output for VolumetricData (CHGCAR, LOCPOT, etc.). Support for Crystal Orbital Hamilton Populations (COHPs) (@marcoesters) REST interface for Pourbaix data Support for optical property parsing in Vasprun. Improvements to LammpsData Misc bug fixes
Massive speedup of Bandstructure, especially projected band structures, parsing. Massive update to p...
Fixed PyPI release wf name Full Changelog: https://github.com/materialsproject/pymatgen-analysis-def...
Massive updates to FEFF support (Kiran Mathews). Bug fixes in band structure plotting
Massive rewrite of LAMMPSData to support more functionality (Zhi Deng) Misc bug fixes
New fast Pourbaix algorithm (@montoyjh) VASP Incar parameter checking (@richardtran415) New VASP inp...
Improve support for alternative settings in SpaceGroup. Fix respect for user_incar_settings in MPNon...
Fix to composition handling in MolecularOrbitals (@dyllamt) Fix to allow mixed compressed/uncompress...
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with cert...
MPRester.query now supports bulk queries for large scale requests. (@dwinston) MVLRelax52Set which ...
PointGroupAnalyzer now allows for symmetrization of molecules. (@mcocdawc) QuasiharmonicDebyeApprox ...
Numerous updates and improvements to defect classes (@dbroberg) New API for MEGNET models, see http:...
Dependency cleanup. Now, basic pymatgen requires on much fewer packages. Fixed reading of POSCAR fil...
Improvements to DOSPlotter (@uthpalah) Improvements to writing VASP input sets (@rkingsbury) Bug fix...
New VASP Input Set "from previous" interface (@utf) ELFCAR support (@mkhorton) Improvements to plott...
HHI Resource Analysis (by Anubhav Jain). Bug fixes for surfaces normalizatino. Bug fix for Vasprun p...
Massive speedup of Bandstructure, especially projected band structures, parsing. Massive update to p...
Fixed PyPI release wf name Full Changelog: https://github.com/materialsproject/pymatgen-analysis-def...
Massive updates to FEFF support (Kiran Mathews). Bug fixes in band structure plotting
Massive rewrite of LAMMPSData to support more functionality (Zhi Deng) Misc bug fixes
New fast Pourbaix algorithm (@montoyjh) VASP Incar parameter checking (@richardtran415) New VASP inp...
Improve support for alternative settings in SpaceGroup. Fix respect for user_incar_settings in MPNon...
Fix to composition handling in MolecularOrbitals (@dyllamt) Fix to allow mixed compressed/uncompress...
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with cert...
MPRester.query now supports bulk queries for large scale requests. (@dwinston) MVLRelax52Set which ...
PointGroupAnalyzer now allows for symmetrization of molecules. (@mcocdawc) QuasiharmonicDebyeApprox ...
Numerous updates and improvements to defect classes (@dbroberg) New API for MEGNET models, see http:...
Dependency cleanup. Now, basic pymatgen requires on much fewer packages. Fixed reading of POSCAR fil...
Improvements to DOSPlotter (@uthpalah) Improvements to writing VASP input sets (@rkingsbury) Bug fix...
New VASP Input Set "from previous" interface (@utf) ELFCAR support (@mkhorton) Improvements to plott...
HHI Resource Analysis (by Anubhav Jain). Bug fixes for surfaces normalizatino. Bug fix for Vasprun p...
Massive speedup of Bandstructure, especially projected band structures, parsing. Massive update to p...
Fixed PyPI release wf name Full Changelog: https://github.com/materialsproject/pymatgen-analysis-def...
Massive updates to FEFF support (Kiran Mathews). Bug fixes in band structure plotting