* Pymatgen no longer depends on pyhull. * MPRester method to get interface reaction kinks between two reactants. * Misc improvements.
2017.12.6
Not secure
* 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.
2017.11.30
Not secure
* Fix for severe enumlib_caller bug. This causes enumerations not to be carried out properly due to bad accounting of symmetry of ordered sites. It results in too few orderings. * New method to extract clusters of atoms from a Molecule based on bonds.
2017.11.27
Not secure
* Improvements to FEFF * MPRester now supports surface data. * Improvement to DiscretizeOccupanciesTransformation.
2017.11.9
Not secure
* Massive rewrite of LAMMPSData to support more functionality (Zhi Deng) * Misc bug fixes.
2017.11.6
Not secure
* Better exception handling in EnumlibAdaptor and EnumerateStructureTransformation. * Allow bypassing of ewald calculation in EnumerateStructureTransformation. * get_symmetry_operations API convenience method for PointGroupAnalyzer. * New DiscretizeOccupanciesTransformation to help automate ordering of disordered structures. * Fix POTCAR check for POSCAR. * Minor updates to periodic table data. * Misc bug fixes.