| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer(kind=n_int), | intent(in) | :: | iLutnI(0:NIfD) |
logical function TestIfDETinCASBit(ilutnI) ! In: ! iLutNI: bit string representation of a determinant. ! Returns: ! true if the determinant is in the complete active space. integer(n_int), intent(in) :: iLutnI(0:NIfD) ! A determinant is in the CAS iff ! a) all orbitals in the core space are occupied; ! b) no orbitals in the external space are occupied; ! Thus ANDing the determinant with CASMask (containing set bits for ! the core and external orbitals) will give precisely the core ! orbitals if the determinant is in the CAS. TestifDETinCASBit = all(iand(iLutNI, CASMask) == CoreMask) end function TestIfDETinCASBit