* Improvements to reaction calculator (mattmcdermott) * VASP input set for SCAN from Materials Project, MPScanSet (rkingsbury) * Bug fixes and documentation improvements (LindaHung-TRI, rkingsbury, kwaters4, rwoodsrobinson, JaGeo, nishiyamat, smheidrich)
2019.12.3
Not secure
* Respect KSPACING in INCAR. * Bug fixes.
2019.11.11
Not secure
* Extend grosspop class (Jageo) * Add option to VaspInputSet to write output with POTCAR.spec * Add sort_structure option to Poscar. * Added ability to make gaussian input file without a geometry (WardLT) * Misc big fixes.
2019.10.16
Not secure
1. Major refactoring of ABINIT IO to remove workflow-based packages (gmatteo) 2. Use caching in MinimumVIRENN class. (Alex Ganose) 3. Changes to Lobster module and lobsterset (jageo) 4. Eigenval object for EIGENVAL output file (mturiansky)
2019.10.4
Not secure
1. Fix compile args.
2019.10.3
Not secure
* Faster get_all_neighbors based on chc273's improvements. get_all_neighbors now returns a Site-like object with nn_distance, image and index attributes. Much easier to use. * Bug fix for XCrySDen parser (stevetorr) * Added optional mid_struct to direct interpolation (jmmshn)