occ_overlap2 Subroutine

public subroutine occ_overlap2(occ, occs, lc1, lc2, s12, overlap2)

calculates squared overlaps of a configuration occ with orbital coefficients LC1 (averaged over spin) to a set of configurations occs with orbital coefficients LC2

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	occ(:)	occupation numbers (1)
integer,	intent(in)			::	occs(:,:)	target occupation numbers (2)
real(kind=long),	intent(in)			::	lc1(:,:)	orbital coefficients (1)
real(kind=long),	intent(in)			::	lc2(:,:)	orbital coefficients (2)
real(kind=long),	intent(in)			::	s12(:,:)	overlap between basis functions (1)->(2)
real(kind=long),	intent(out)			::	overlap2(size(occs,2))	result overlap squared