Relase 0.8.0
New GUI layout!
A few essential features were added!
A great part of the package was rewritten, many bugs were fixed.
The attached .exe file is a standalone application, no installation is needed.
NEW FEATURES:
- added RMSD-based trimming of conformers with similar geometry
- added auto-scaling and auto-shifting spectra to match a reference
- added support for handling and exporting electronic transitions
- added export to .gjf files
- added serialization of Tesliper class
API:
- renamed Molecules class to Conformers
- significant changes to ...Writer classes
- significant changes to DataArray subclasses
- major code refactoring
- many smaller changes and improvements
GUI:
- new application layout
- added scroll response to numeric fields
- changed available and default colour schemes
- supplemented data export options