* 10-100x speed up to Structure copying and Site init, which means many functionality has seen significant speed improvement (e.g., structure matching). * Convenience method Structure.matches now perform similarity matching for Structures. * Bugfix for band gap determination.
3.3.6
Not secure
* Update to use enum.x instead of multienum.x. * Minor robustness fixes to VaspInputSet serialization. * Add a reciprocal density parameter to vasp sets. * Minor bug fixes to Vasprun parsing.
3.3.5
Not secure
* StructureMatcher can now work with ignored species. * Added interpolation failure warnings and smooth tolerance for scipy.interpolate.splrep in bandstructures (Tess). * Added DiffusionAnalyzer.get_framework_rms_plot. * Complete rewrite of Procar class to use NDarray access and zero-based indexing. * OrderParameters class for analysis of local structural features (Nils Zimmermann). * Bug fixes for Procar, MPRester and SpaceGroup 64. * Added Github templates for contributing to pymatgen.
3.3.4
Not secure
* Procar now supports parsing of phase factors. * Miscellaneous bug fixes.
3.3.3
Not secure
* Bug fixes for Poscar. * Fix Kpoints pickling.
3.3.2
Not secure
* Bug fixes for pymatgen.io.abinit * Other minor big fixes.