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InteractionRDM.rotate_basis rotates incorrectly?
It looks like InteractionRDM.rotate_basis calls the same PolynomialTensor routine as rotate_basis on InteractionOperator. RDM rotation should be
opdm = of.general_basis_change(opdm, v, (0, 1))
tpdm = of.general_basis_change(tpdm, v, (0, 0, 1, 1))
and not
opdm = of.general_basis_change(opdm, v, (1, 0))
tpdm = of.general_basis_change(tpdm, v, (1, 1, 0, 0))
I guess the informed user will notice the first set of code is equivalent to
rdms.rotate_basis(v.conj())
(I'm going around and checking issue statuses.) @ncrubin this issue is old enough that things might have changed since it was opened. Could you let me know if it is still relevant?
@ncrubin Gentle ping …
AFAIK it is still an issue