* Input sets for GW and BSE calculations (Zhenbin Wang) and grain boundary calculations (Hui Zheng). Input sets now support overriding of POTCAR settings. * Haven ratio calculation (Iek-Heng Chu). * LAMMPS io updates (Kiran Matthews). * Oxidation state guessing algorithms based on ICSD data (Anubhav Jain). * New local_env module for local environment analysis. (Nils Zimmerman). * pymatgen.util.plotting.periodic_table_heatmap (Iek-Heng Chu). * Improvements to surface code for tasker 3 to 2 reconstructions. * pymatgen.analysis.interface_reactions.py for analyzing interfacial reactions (Yihan Xiao).
2017.8.16
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* PointGroupAnalyzer now allows for symmetrization of molecules. (mcocdawc) * QuasiharmonicDebyeApprox with anharmonic contribution. (Brandon) * Improvements to LAMMPS io. (Kiran) * Misc bug fixes.
2017.8.14
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* Fixes and minor improvements to elastic, bader and defect analyses.
2017.8.4
Not secure
* Major refactoring and improvements to lammps io. (Kiran) * Major improvements to BaderAnalysis. (Joey and Zhi) * Major improvements to Magmom support in cifs, SOC calculations, etc. (Matthew Horton) * Add remove_site_property function. Add magmom for Eu3+ and Eu2+. * BoltztrapAnalyzer/Plotter support for seebeck effective mass and complexity factor (fraricci)
2017.7.21
Not secure
* Misc bug fixes to elastic (J. Montaya), * Decrease default symprec in SpacegroupAnalyzer to 0.01, which should be sufficiently flexible for a lot of non-DFT applications.
2017.7.4
Not secure
* Bug fixes for oxide corrections for MP queried entries, and pickling of Potcars. * Default to LPEAD=T for LEPSILON=T.