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ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems
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Rewrite wigner.jl #44

Closed zhanglw0521 closed 3 years ago

zhanglw0521 commented 3 years ago

Renaming rotation_D_matrix and getting rid of rotation_D_matrix_ast

zhanglw0521 commented 3 years ago

Sorry, nearly mixed up 2 PRs... Please ignore the last two commits which are simply a wrong commit and its recovery.

cortner commented 3 years ago

this ready to be merged?

zhanglw0521 commented 3 years ago

this ready to be merged?

Given that the corresponding tests passed (test_symmbasis.jl), I think it is ready to be merged. It will be even better if you could take a glance at this as I am not so sure whether or not my modifications are all in their best ways.

cortner commented 3 years ago

looks all good, I will now merge.