Maciej Bartkowiak

The new mechanism of Q vector generation in `SphericalLatticeQVectors` is this: 1. For each |q|, generate a sphere of vectors with length |q|. 2. Convert all vectors into HKL coordinates...

I'm happy to think about it some more. I could probably check the standard deviation of |q| in a shell, and extent the shell if the spread of the vector...

This PR may be easier to test once #990 has been approved and merged, since we will have the tools to visualise the distribution of vector lengths in individual shells.

> I think we might want to adjust the q-vector so instead we get a certain amount of q-vectors per shell volume. Note that we currently use a fixed number...

Changes since the last time: 1. Vector preview now has two tabs: the statistics of |q| and the vector coordinate distribution of specific shells. 2. Plot creator can create the...

> I get an error when I try to "preview vector distribution" in the Actions tab. I see the following error message. > This should be fixed now. I think...

Actually, circular vectors are probably OK, but the 3D scatter plot resets axes scaling in such a way that a circle that should be in a plane appears to be...

> Do the vector plots have their weights applied before binning in the histograms? I'm plotting the sphericallattiveqvectors of a cubic cell and I see the following for one of...

> The distribution for both polar and azimuthal angles looks right. To avoid the users getting confused when looking at the polar angle it might be a good idea to...

It seems that the main branch generates less shells than this branch, but they are better defined. Here are the statistics for the NaF trajectory (cubic, 21 Angstrom) with q-range...