- bonding and antibonding contributions will now be integrated and a percentage of antibonding interactions below Efermi will be given.
- users can provide their own basis functions for lobsterin/INCAR generation
- documentation added
- fixes to saving files
- 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
- 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)