First version for an intersection feature for DownsetBasisSelectors#117
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MatthiasSachs wants to merge 24 commits intoACEsuit:mainfrom
Draft
First version for an intersection feature for DownsetBasisSelectors#117MatthiasSachs wants to merge 24 commits intoACEsuit:mainfrom
MatthiasSachs wants to merge 24 commits intoACEsuit:mainfrom
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- updated implementation of EuclideanVector (moved elementary rotation coefficients to dictionary and changed format) - updated dictionary for elementary rotation coefficients to inlclude l=0,1,2 All tests pass, there are now non-symmetric matrix valued basis functions, BUT the complex part is still not negligible.
-new filter added to basis selectors - utils.SymmetricBond_basis extended to include symmetry option for bond sign flip - renamed "test_basisselectors.jl"
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there is a lot of bond stuff in this PR, am I right? might be difficult to clean up. Might make sense to extract the most relevant ideas and start over? |
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This pull request is still a bit messy (I just happen to urgently need this feature). I am putting this here as a PR so that we can discuss further steps/cleanup. Basic tests pass.