In the last couple weeks there have been many changes in SEAMM and plug-ins:
New functionality
- DFTB+: Added plotting of densities and orbitals for molecular and periodic systems, and handling spin polarization.
- DFTB+: Added recently released spin parameters for the 3ob dataset
- Dashboard: added support for CUBE files, including gzipped ones.
- Read Structure: improved handling of MOPAC files, which sometimes need to run MOPAC. This now uses the SEAMM installed version if available.
- SEAMM Installer: Added ability to name the Dashboard, making it easier to track multiple Dashboards.
Fixed a large number of bugs, small and large:
- DFTB+: Fixed significant bug with DOS, band structure, and orbital plots in cases where the path contained a space.
- Dashboard: Fixed bug if the secret key was not given. It is now generated randomly.
- Molsystem: fixed bug when getting all properties for a configuration
- Molsystem: fixed bug handling space group symmetries with terms like -x+y.
- SEAMM installer: fixed bug with updating SEAMM from the command line when not all packages were installed.
You should run the SEAMM Installer and update your installation so that you have these enhancements and bug fixes.