* Improvements to grain boundary transformations and Rester (Tinaatucsd) * Improvements to AdsorbateSiteFinder (oxana-a) * Improvements to Waveder support (JRSuckert) * Improvements to run type detection (darnoceloc) * Add XAS data to Rester (yimingchen95) * Fix to ATAT input/output (dongsenfo) * Initial support for Prismatic input (mkhorton)
2019.6.20
Not secure
* New interface class (sivonxay, kylebystrom, shyamd) * Updates to SlabGenerator (CifLord) * Updates to PiezoTensor (dongsenfo) * Add support for parsing on-site density matrix to Outcar (mkhorton, mhsiron, clegaspi) * Fixes for magnetic space groups (simonward86) * Fixes for Lobster class (JaGeo) * Fix for FEFF (stevetorr) * Fix for Waveder (JRSuckert)
2019.6.5
Not secure
* Linear scaling get_all_neighbors. Tested to be faster for > 100 atoms (chc273). * Lobsterin class to handle input for Lobster (JaGeo). * Strict options for composition parsing (mkhorton). * Bug fix for CovalentBondNN.get_bonded_structure (lan496).
2019.5.28
Not secure
* New VASP Input Set "from previous" interface (utf) * ELFCAR support (mkhorton) * Improvements to plotting of band structures and densities of states (ShuaishuaiYuan) * Convenience functions added to Composition including chemical system convention (mkhorton) * Various bug fixes (mkhorton, utf) * Improvements to MEGNET API (shyuep) * Improvements to Structure interpolation (mturiansky)
2019.5.8
Not secure
* Numerous updates and improvements to defect classes (dbroberg) * New API for MEGNET models, see <http://megnet.crystals.ai> (shyuep) * Update to NMR symmeterization (dongsenfo) * Change CIF indexing (kmu) * Add BoltzTraP mode to NonSCF input sets (utf)
2019.5.1
Not secure
* Small speeds to Structure.get_all_neighbors. * Big fixes for gulp_caller. (kmu) * Plot fatbands from Lobster. (jageo) * Speed up get_ir_mesh (utf) * Parsing of plasma frequencies from Outcar. * Miscellaneous bug fixes.