occ_overlap2_highspin_core Subroutine

public subroutine occ_overlap2_highspin_core(occ, occs, lc1, lc2, s12, ncore, overlap2)

returns overlap square between configurations in occ to configurations in occs with different molecular orbitals and basis sets considering only high-spin configurations

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	occ(:)
integer,	intent(in)			::	occs(:,:)
real(kind=long),	intent(in)			::	lc1(:,:)
real(kind=long),	intent(in)			::	lc2(:,:)
real(kind=long),	intent(in)			::	s12(:,:)
integer,	intent(in)			::	ncore
real(kind=long),	intent(out)			::	overlap2(size(occs,2))