* Revamped transmuter classes for better readability and long term support. * Much improved speed for PartialRemoveSpecieTransformations. * Misc bug fixes.
1.8.0
Not secure
* Support for additional properties on Specie (Spin) and Site (magmom, charge). * Molecule class to support molecules without periodicity. * Beta io class for XYZ and GaussianInput.
1.7.2
Not secure
* Bug fixes for vaspio_set and compatibility classes.
1.7.0
Not secure
* Complete reorganization of modules for electronic structure. * Beta of band structure classes. * Misc improvements to vaspio classes. * Bug fixes.
1.6.0
Not secure
* Beta of pymatgen.borg package implemented for high-throughput data assimilation. * Added ComputedEntry classes for handling calculated data. * New method of specifying VASP pseudopotential location using a VASP_PSP_DIR environment variable. * Bug fix for pymatgen.symmetry * Ewald sum speed up by factor of 2 or more.