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ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems
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Enable scaling #48

Closed zhanglw0521 closed 3 years ago

zhanglw0521 commented 3 years ago

Enable scaling for pibasis/symmetricbasis

zhanglw0521 commented 3 years ago

This PR enables scaling functions for PIBasis&SymmetryBasis. I'm still not so sure whether or not have I placed the scaling functions in the correct positions. Any suggestions please?

Besides, 2 tests regarding FIO failed unexpectedly (for both 1pbasis and symmetrybasis) - they passed locally but failed here...

cortner commented 3 years ago

Hi Liwei - wrong branch (my fault). I'm going to clos this PR. Please merge main into your branch and then start a new PR merging into main.