xmolecule_get_overlapmatrix Subroutine

public subroutine xmolecule_get_overlapmatrix(xdata_cptr, s_ao, l_ao) bind(c)

return overlap matrix

Arguments

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