Retire Rn1pBasis and Scal1pBasis

ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems

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Retire Rn1pBasis and Scal1pBasis #114

Closed cortner closed 2 years ago

cortner commented 2 years ago

It appears that both of these are special cases of XScal1pBasis. To minimize how much needs to be maintained we can remove those entirely. But we need:

wrappers that guarantee XScal is a drop-in replacement
Allow the parameter matrix to be sparse, or diagonal or just I
Allow the parameters to be either free or frozen.

cortner commented 2 years ago

maybe this should go into #116

cortner commented 2 years ago

Thinking ahead ... maybe there should be a generic wrapper struct that can be wrapped around ANY inner basis and makes it really convenient to do so...

cortner commented 2 years ago

cf #119

cortner commented 2 years ago

closed via #119