ACE2 TODO List - Githubissues

ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems

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ACE2 TODO List #23

Closed cortner closed 3 years ago

cortner commented 3 years ago

Please add further items in a separate post

[x] Merge the different coupling coefficient structures
[x] merge the different coupling coefficient implementations
[x] gradients (@cortner)
[x] Spherical tensors (@zhanglw0521)
[x] Euclidean tensors (@MatthiasSachs)
[x] multiple n, l, m
[ ] multiplying and concatenating properties

cortner commented 3 years ago

@zhanglw0521 I think you could now start working on the spherical tensors while in parallel discussing with Matthias how to unify our three codes.

cortner commented 3 years ago

one final item missing, but I will ignore this. This would just be a convenience layer that we can add at some later date. The main features of ACE2 are ready.