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ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems
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Multi-Property Models via Matrices #97

Closed cortner closed 2 years ago

cortner commented 2 years ago

CC @andresrossb

this is just to follow along and discuss. If we like it, I'll merge it into your other PR and cancel this one. Maybe I will also, in this same branch try to get rid of the grad_config code and replace it with _rrule_evaluate_d (with w = 1).

cortner commented 2 years ago

just to record this here: we merged #98 in favour of this branch, but the issue is not 100% settled yet.

cortner commented 2 years ago

very unlikely that we will return to this branch - if we want to try this then we will have to start over. closing it for now.