You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
which is obviously wrong, since a and c were not declared as non-orthogonal. It is however not so as to overload iszero for OrbitalMatrixElements of IdentityOperator{N} and require the bra and ket to be equal, since the constituent orbitals may be non-orthogonal. Maybe such OrbitalMatrixElements should be automatically converted to OrbitalOverlaps?
The text was updated successfully, but these errors were encountered:
Slightly related to #8. When evaluating the matrix element of
IdentityOperator{1}
between two configurations, the following occurs:which is obviously wrong, since
a
andc
were not declared as non-orthogonal. It is however not so as to overloadiszero
forOrbitalMatrixElement
s ofIdentityOperator{N}
and require the bra and ket to be equal, since the constituent orbitals may be non-orthogonal. Maybe suchOrbitalMatrixElement
s should be automatically converted toOrbitalOverlap
s?The text was updated successfully, but these errors were encountered: