basis selector added - Githubissues

ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems

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basis selector added #59

Closed MatthiasSachs closed 2 years ago

cortner commented 2 years ago

TODO:

move the other basis selectors into basisselectors.jl
leave basis selector interface in prototyupes for now
implement a test

MatthiasSachs commented 2 years ago

TODO:

move the other basis selectors into basisselectors.jl

leave basis selector interface in prototyupes for now

implement a test

All changes done! I moved t the definition of AbstractBasisSelector and DownsetBasisSelector into basisselectors.jl. Not sure if they should have stayed in prototypes?

MatthiasSachs commented 2 years ago

most inconsistent whitespaces corrected

cortner commented 2 years ago

looks good so far, let me know when it is ready for final review + merge

cortner commented 2 years ago

sorry - just want to wait for the tests to finish. I'll merge later. Also - there is a huge number of weird commits which I'll squash into a single one. Just so you aren't surprised...

cortner commented 2 years ago

all done - thank you both.