Christoph Ortner

@skariel In trying to debug my example to post it here I ran into another problem. If you think this should go somewhere else, I can delete the post and...

sorry - that is embarrassing, and thank you for catching it. I was just about to post the correction. In your picture you see exactly my issue. The second point...

@skariel I am pretty sure what happened is that you removed all triangles that have the corners of the cube as one of their vertices. I am also pretty sure...

@skariel Unfortunately, this is not useful for me - since I need to know that I am getting the convex hull of my vertices. So if I understand correctly then...

I am actually after the triangulation. I just want to make sure I get the Delaunay triangulation and not something that I am not sure how it's a defined. I...

Thanks you - in general I think ASE.jl needs an overhaul. The question is whether to wait until quippy can be incorporated into this and make it all based on...

wow I don't think I ever missed an issue for more than a year :( - sorry. I'll try to take care of it at the same time as #23

I suggested it is not really strictly needed but so canonical that it can't harm. And I think some people prefer to work with velocities, some with momenta so you...

maybe those are two different discussions? Start a separate thread for the trajectories? (btw, I only ever needed to treat trajectories as a list e.g. Vector or structures.)

Re bonds : that's usually information stored in a neighbourlist. Are you asking how to cache the neighbourlist? I see no barrier to doing this right now.