Extensive support for elasticity tensor analysis (Joseph Montoya). Misc bug fixes and performance improvements. Add support for QChem4.3 new format of Batch job
Massive speedup of Bandstructure, especially projected band structures, parsing. Massive update to p...
Cost analysis module (Anubhav Jain) More Py3k fixes. Extensive abinitio updates (Matteo). v3.0.
Dependency cleanup. Now, basic pymatgen requires on much fewer packages. Fixed reading of POSCAR fil...
Extensive support for elasticity tensor analysis (Joseph Montoya). Misc bug fixes and performance im...
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
Massive update to abinit support. Note that pymatgen.io.abinitio has been refactored to pymatgen.io...
Dash docs now avaiable for pymatgen. See pymatgen.org "Offline docs" section for details. Better Cry...
HHI Resource Analysis (by Anubhav Jain). Bug fixes for surfaces normalizatino. Bug fix for Vasprun p...
Chemical environment analysis package (David Waroquiers). Piezoelectric property analysis (Shayam)
Massive cleanup to Boltztrap interface (Anubhav Jain) Refactor of piezoelectric analysis to use tens...
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...
Sympy now a dependency. Massive improvements to elastic package. (Joseph Montoya) Symmetrized struct...
Force conversion to an actual list in selective dynamics and velocities in Poscar. fix small bug in ...
Fix important bug in minimum image distance computation for very skewed cells. Major refactoring of ...
Massive speedup of Bandstructure, especially projected band structures, parsing. Massive update to p...
Cost analysis module (Anubhav Jain) More Py3k fixes. Extensive abinitio updates (Matteo). v3.0.
Dependency cleanup. Now, basic pymatgen requires on much fewer packages. Fixed reading of POSCAR fil...
Extensive support for elasticity tensor analysis (Joseph Montoya). Misc bug fixes and performance im...
Improved chemenv parameters and bug fixes (David Waroquiers). Improved Qchem IO (Shyam). Improved in...
Massive update to abinit support. Note that pymatgen.io.abinitio has been refactored to pymatgen.io...
Dash docs now avaiable for pymatgen. See pymatgen.org "Offline docs" section for details. Better Cry...
HHI Resource Analysis (by Anubhav Jain). Bug fixes for surfaces normalizatino. Bug fix for Vasprun p...
Chemical environment analysis package (David Waroquiers). Piezoelectric property analysis (Shayam)
Massive cleanup to Boltztrap interface (Anubhav Jain) Refactor of piezoelectric analysis to use tens...
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...
Sympy now a dependency. Massive improvements to elastic package. (Joseph Montoya) Symmetrized struct...
Force conversion to an actual list in selective dynamics and velocities in Poscar. fix small bug in ...
Fix important bug in minimum image distance computation for very skewed cells. Major refactoring of ...
Massive speedup of Bandstructure, especially projected band structures, parsing. Massive update to p...
Cost analysis module (Anubhav Jain) More Py3k fixes. Extensive abinitio updates (Matteo). v3.0.
Dependency cleanup. Now, basic pymatgen requires on much fewer packages. Fixed reading of POSCAR fil...