- users can provide their own basis functions for lobsterin/INCAR generation - documentation added - fixes to saving files
0.2.1
- Fix error message when LobsterPy is used in cation-anion mode for materials that are not ionic. - automatic plots are now saved correctly. Before only the last plot was saved. - Additional Gaussian broadening available for COHPs - lobsterins can be generated with the command-line interface
0.1.0
- First LobsterPy release - Automatic COHP analysis (description and plots) - Command line tool to perform automatic analysis - Command line tool to plot COHPs, COOPs, and COBIs - also orbitalwise and summed - Many options to refine plots (own matplotlib styles, changes of font size, sizes)