* Deprecated methods cleanup for 2018. Note that this may break some legacy code. Please make sure you update your code! * Better dielectric parsing for VASP 5.4.4 to include both density-density and velocity-velocity functions. * Orbital-resolved COHPs support (Macro Esters) * Convenient plot_element_profile method in PDPlotter. * Input set for SCAN functional calculations. * Misc bug fixes and code improvements.
2017.12.8
Not secure
* 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.