xmolecule_ci_overlaps Subroutine

public subroutine xmolecule_ci_overlaps(xdata_cptr, olap, l_e) bind(c)

calculated CI state overlaps

Arguments

Type IntentOptional Attributes Name
type(c_ptr), intent(inout) :: xdata_cptr
real(kind=c_double), intent(inout) :: olap(l_e,l_e)
integer(kind=c_int), intent(inout) :: l_e