Improvements to DOSPlotter (@uthpalah) Improvements to writing VASP input sets (@rkingsbury) Bug fix for PhaseDiagram (@montoyjh
PMG settings are now prefixed with PMG_ to ensure proper namespacing. Improve error output in comman...
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
Dependency cleanup. Now, basic pymatgen requires on much fewer packages. Fixed reading of POSCAR fil...
New VASP Input Set "from previous" interface (@utf) ELFCAR support (@mkhorton) Improvements to plott...
New fast Pourbaix algorithm (@montoyjh) VASP Incar parameter checking (@richardtran415) New VASP inp...
Fix to composition handling in MolecularOrbitals (@dyllamt) Fix to allow mixed compressed/uncompress...
Improvements to reaction calculator (@mattmcdermott) VASP input set for SCAN from Materials Project,...
MPRester.query now supports bulk queries for large scale requests. (@dwinston) MVLRelax52Set which ...
Massive refactoring of PhaseDiagram. Now, PDAnalyzer is completely defunct and all analysis is carri...
Improve support for alternative settings in SpaceGroup. Fix respect for user_incar_settings in MPNon...
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with cert...
Move vasp.vaspput to vasp.puts. Also, maintain backwards compatibility with vaspio.vasp_*pu
Massive speedup of Bandstructure, especially projected band structures, parsing. Massive update to p...
Update to use enum.x instead of multienum.x. Minor robustness fixes to VaspInputSet serialization. A...
Improved SQS caller. (@rwoodsrobinson) VolumetricData speedup (@mturiansk) Misc bug fixe
PMG settings are now prefixed with PMG_ to ensure proper namespacing. Improve error output in comman...
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
Dependency cleanup. Now, basic pymatgen requires on much fewer packages. Fixed reading of POSCAR fil...
New VASP Input Set "from previous" interface (@utf) ELFCAR support (@mkhorton) Improvements to plott...
New fast Pourbaix algorithm (@montoyjh) VASP Incar parameter checking (@richardtran415) New VASP inp...
Fix to composition handling in MolecularOrbitals (@dyllamt) Fix to allow mixed compressed/uncompress...
Improvements to reaction calculator (@mattmcdermott) VASP input set for SCAN from Materials Project,...
MPRester.query now supports bulk queries for large scale requests. (@dwinston) MVLRelax52Set which ...
Massive refactoring of PhaseDiagram. Now, PDAnalyzer is completely defunct and all analysis is carri...
Improve support for alternative settings in SpaceGroup. Fix respect for user_incar_settings in MPNon...
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with cert...
Move vasp.vaspput to vasp.puts. Also, maintain backwards compatibility with vaspio.vasp_*pu
Massive speedup of Bandstructure, especially projected band structures, parsing. Massive update to p...
Update to use enum.x instead of multienum.x. Minor robustness fixes to VaspInputSet serialization. A...
Improved SQS caller. (@rwoodsrobinson) VolumetricData speedup (@mturiansk) Misc bug fixe
PMG settings are now prefixed with PMG_ to ensure proper namespacing. Improve error output in comman...
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
Dependency cleanup. Now, basic pymatgen requires on much fewer packages. Fixed reading of POSCAR fil...