ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems
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same parameters v5 and v6 seem to produce different basis; explore what changed and fix if there are bugs (@cortner) #52

Closed cortner closed 2 years ago

cortner commented 2 years ago

tempted to close this now. But we wills start serious backward compatibility tests from around v0.13 or v0.14 onwards.