Maciej Bartkowiak

> Also, when there isn't an entry in the local storage, the 3D view and jobs do not work. This occurs as MDANSE appears to always look up the atom...

I don't think we ever considered the case of IJob objects being reusable. I guess that we would need to have some clear/reset function which is run before parsing the...

The changes did not affect anything major, as far as I can tell. However, the way the class names have been converted to uppercase characters has been interfering with combo...

We may be interested in getting out the time-dependent: - velocities (very likely) - partial charges (moderately unlikely) - forces (we don't use them now, but maybe in the future)...

It is a good moment to consider if we want to drop LAMMPS H5MD files altogether. Originally, the intention was to read the H5MD trajectories directly. Since it turned out...

It would be good to have a way of adjusting the view in the filter designer window. I have some use cases where the relevant part of the data is...

Also, let me see if I got this right: the instrument resolution and projection inputs affect the power spectrum in the preview - but do they affect the results produced...

I think that problems can still occur if you run the filter for a trajectory, and then load a different trajectory and switch to it. I lost the ability to...

One more thing: the spin boxes in the filter dialog could be made less restrictive. One of them does not allow values lower than 1.0, and the step size is...

It is still possible to find settings which will make the trajectory collapse to a point, or at least make atoms overlap.  Here is...