* New derived input sets for generating inputs that depende on previuos calculations. Old input sets deprecated.
3.5.0
Not secure
* Chemical environment analysis package (David Waroquiers). * Piezoelectric property analysis (Shayam). * Cythonize certain expensive core functions. 5-10x speedup in large structure matching (Will Richards). * New NMR parsing functionality for Outcar (Xiaohui Qu). * Improved io.lammps (Kiran Mathews). * Update to spglib 1.9.2. * Element properties now return unitized float where possible. * Bug fix for get_primitive_standard affecting rhombohedral cells (important for band structures). * Vasprun.final_energy now returns corrected energy with warning if it is different from final electronic step.
3.4.0
Not secure
* 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.