Maciej Bartkowiak
Maciej Bartkowiak
The conflicts have been resolved. I also added the check for the valid unit cell to the self van Hove function, and another check to the DistHistCutoffConfigurator. I think it...
I removed the unit cell check from the self van Hove function.
In an MD simulation of a crystalline solid, the simulation box is most likely going to be a supercell. The HKL values in this situation should correspond to the unit...
You are right that this will require some effort to get it right. So, the more problems with this idea you point out now, the better we can prepare our...
I will rewrite it to use `warnings` instead. There are some pre-defined warning types there. What warning category should it be if the unit cell is missing? Runtime, User, or...
At the moment it is not guaranteed that the `Configurator.configure` method will be called by the widget. For trajectories, we try to load them as little as possible, and so...
@ChiCheng45 I added a ComplexValidator to the atom property table, and replaced all the `None` values with `nan`. If #780 gets merged, we could try to add at least a...
This has also been solved by #963 instead.
The projection widget should work correctly now.
The problem is that LAMMPS has multiple possible formats of the configuration file, and specifically this section: https://docs.lammps.org/atom_style.html is what creates the problem. Depending on which one is selected in...