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ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems
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Degree and Basis Selector #65

Closed cortner closed 2 years ago

cortner commented 2 years ago

We need to revise the interface for basis selectors. At the moment it is acting as if the "degree" is not needed, but this is not true. The one-particle basis must be sorted by degree, and the "isadmissable" function must be monotone. This all suggests that we should maybe revert to the "degree" implementation and drop the "isadmissible" version altogether.

MatthiasSachs commented 2 years ago

This is now partly addressed in PR Basis selectors extended #67

cortner commented 2 years ago

moving on now to implement the level

MatthiasSachs commented 2 years ago

Great! Should I add/do anything?

cortner commented 2 years ago

need to be careful when we remove the upper bounds on the one-particle basis to make sure nothing goes wrong.

cortner commented 2 years ago

Great! Should I add/do anything?

not yet, I'd like to think this through a bit.

cortner commented 2 years ago

ok, level is done and will be finished in the PR today hopefully. I'm moving the discussion now to a separate issue on redesigning the basis selection interface altogether.