This is a request for multiple small features to be implemented.
I think it would be useful if, when an (ORCA) output is loaded that contains multiple frequency calculations, all of these could be independently visualised. Most commonly, this happens for transition state optimisation jobs, where there is a frequency calculation pre-optimisation, as well as at the end of the optimisation. Maybe the geometries that have frequency calculations associated with them could all be marked somehow in the energy convergence window, maybe by a different colour?
It would also be useful to be able to go back to scrolling the geometry convergence after inspecting normal modes. This may already be implemented but I couldn't find a way.
This is a request for multiple small features to be implemented.
I think it would be useful if, when an (ORCA) output is loaded that contains multiple frequency calculations, all of these could be independently visualised. Most commonly, this happens for transition state optimisation jobs, where there is a frequency calculation pre-optimisation, as well as at the end of the optimisation. Maybe the geometries that have frequency calculations associated with them could all be marked somehow in the energy convergence window, maybe by a different colour?
It would also be useful to be able to go back to scrolling the geometry convergence after inspecting normal modes. This may already be implemented but I couldn't find a way.