Linear scaling get_all_neighbors. Tested to be faster for > 100 atoms (@chc273). Lobsterin class to handle input for Lobster (@JaGeo). Strict options for composition parsing (@mkhorton). Bug fix for CovalentBondNN.get_bonded_structure (@lan496)
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
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...
New fast Pourbaix algorithm (@montoyjh) VASP Incar parameter checking (@richardtran415) New VASP inp...
IRSpectra class (@henriquemiranda) Much faster get_neighbors written in Cython (@chc273). Volumetric...
New MonteCarloRattleTransformation and phonopy integration (@utf) New structure connectivity feature...
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...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
New VASP Input Set "from previous" interface (@utf) ELFCAR support (@mkhorton) Improvements to plott...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with cert...
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...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
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...
New fast Pourbaix algorithm (@montoyjh) VASP Incar parameter checking (@richardtran415) New VASP inp...
IRSpectra class (@henriquemiranda) Much faster get_neighbors written in Cython (@chc273). Volumetric...
New MonteCarloRattleTransformation and phonopy integration (@utf) New structure connectivity feature...
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...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
New VASP Input Set "from previous" interface (@utf) ELFCAR support (@mkhorton) Improvements to plott...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with cert...
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...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
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...