Open MatthiasSachs opened 2 years ago
I guess that issue 2 might be because of numerical error. But I find issue 1 to be more confusing? Where in the construction do we enforce symmetry of the matrix functions? Certainly, there are matrix functions that don't evaluate to symmetric matrices and at the same time satisfy the required equivariance property, e.g.,
M(r) = v_1(r) \otimes v_2(r),
where v_1
and v_2
are covariant matrix functions.
The symmetry issue suggests the basis is not complete.
The real/complex thing is weird. First though, note you shouldn't use complex
but imag
please.
But even then the test fails. In fact going back to this
φ = ACE.EuclideanMatrix(Float64)
pibasis = PIBasis(B1p, Bsel; property = φ)
basis = SymmetricBasis(φ, pibasis)
BB = evaluate(basis, cfg)
I don't understand at all why the elements of BB aren't real when you demand a real matrix as the property? Smells very much like a bug.
Evaluations of a symmetric basis with
property=EuclideanMatrix{Float64}
Both tests have been added to the test file
test_EuclideanMatrix.jl
in latest commit c7cdea1 to PR #99