Christoph Ortner

@JuliaRegistrator register subdir=julia branch=julia

A comment from @mfherbst was that ZeroDirichlet is used for electronic structure. I agree this makes sense there, but I pointed out that that's a boundary condition for the electronic...

> there may well be potential users who are not crystal clear about the distinction between BC's and constraints This is certainly true. I use the term boundary condition myself...

I've edited the original post to make a concrete proposal. I think this is important to do correctly. And I'd like to do this soon since it is one of...

I can mention that in JuLIP I had a DOF manager that implemented masks (a generalization of clamped position) and things like volume constraints and that extracted a DOF vector...

The case for `pbc` is that it is the acronym used by literally everybody. The case for `periodic` is that it avoids the usage of "boundary condition" which - for...

I also think at least right now there is not much point in removing this abstract type, especially because it allows us to implement generics. What we could discuss is...

My sense is that the **MAIN DECISION** to be made is whether the reference implementation should become the *de facto* standard to be used by this community or just an...

Thanks for pointing out inconsistencies. I'll clear those up asap and then respond to the other point.

> * What does `particle_id` return? Is it supposed to return a Type like `ChemicalElement` or something else? yes. `ChemicalElement` is the strong recommendation, but it could be something else...