Basis Sizes are Very Different in v0.12.33 and v0.12.34

ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems

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Basis Sizes are Very Different in v0.12.33 and v0.12.34 #130

Open cortner opened 2 years ago

cortner commented 2 years ago

To reproduce:

RnYlm = ACE.Utils.RnYlm_1pbasis(; maxdeg = 6 )
Zk = ACE.Categorical1pBasis([:a, ]; varsym = :z, idxsym = :k, label = "Zk")
B1p = RnYlm * Zk
Bsel = ACE.SimpleSparseBasis(3, 6);
basis = ACE.SymmetricBasis(ACE.EuclideanMatrix(), B1p, Bsel)
length(basis)