Dash docs now avaiable for pymatgen. See pymatgen.org "Offline docs" section for details. Better CrystalNN. (Anubhav Jain) Fixes for elastic module. (Joseph Montoya
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Updated debye temperature formulation (Joey Montoya) Add bandgap option for FermiDos for scissoring ...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Dash docs now avaiable for pymatgen. See pymatgen.org "Offline docs" section for details. Better Cry...
Extensive support for elasticity tensor analysis (Joseph Montoya). Misc bug fixes and performance im...
Sympy now a dependency. Massive improvements to elastic package. (Joseph Montoya) Symmetrized struct...
New interface class (@sivonxay, @kylebystrom, @shyamd) Updates to SlabGenerator (@richardtran415) Up...
Massive speedup of Bandstructure, especially projected band structures, parsing. Massive update to p...
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
Plugin architecture for pymatgen. Improvements to pymatgen.analysis.xas.spectrum.XAS class. (@yiming
Chemical environment analysis package (David Waroquiers). Piezoelectric property analysis (Shayam)
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Improvements to DOSPlotter (@uthpalah) Improvements to writing VASP input sets (@rkingsbury) Bug fix...
Fix to composition handling in MolecularOrbitals (@dyllamt) Fix to allow mixed compressed/uncompress...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Updated debye temperature formulation (Joey Montoya) Add bandgap option for FermiDos for scissoring ...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Dash docs now avaiable for pymatgen. See pymatgen.org "Offline docs" section for details. Better Cry...
Extensive support for elasticity tensor analysis (Joseph Montoya). Misc bug fixes and performance im...
Sympy now a dependency. Massive improvements to elastic package. (Joseph Montoya) Symmetrized struct...
New interface class (@sivonxay, @kylebystrom, @shyamd) Updates to SlabGenerator (@richardtran415) Up...
Massive speedup of Bandstructure, especially projected band structures, parsing. Massive update to p...
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
Plugin architecture for pymatgen. Improvements to pymatgen.analysis.xas.spectrum.XAS class. (@yiming
Chemical environment analysis package (David Waroquiers). Piezoelectric property analysis (Shayam)
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Improvements to DOSPlotter (@uthpalah) Improvements to writing VASP input sets (@rkingsbury) Bug fix...
Fix to composition handling in MolecularOrbitals (@dyllamt) Fix to allow mixed compressed/uncompress...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Updated debye temperature formulation (Joey Montoya) Add bandgap option for FermiDos for scissoring ...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...