Energy, etc. Tips + Needs about non-bonded-periodic

[zenpi-me]

First of all: Thank you for your suggestions and your time.

I am thinking that I can just take the energies and calc the negative gradient from them. I already did this and if you like you can see. Because I am not sure, if I can just do it like that. I actually just did "force = -np.diff(energy)/distance"...

The k vector grid is also implemented and I use symmetry. There is nothing imaginary anymore.

I don't understand your last suggestion :/ what images are you talking about?

[TracyMcBean]

I think the problem with the symmetry of the k vectors has been solved. In case this is not the case I would suggest opening a new issue which is up to date.