write_molden_file Subroutine

public subroutine write_molden_file(p, a, b, f, filename, cartesian)

!! This routine writes a molden file containing the basis set definition and the linear combination of orbitals !!

Arguments

Type IntentOptional Attributes Name
type(param), intent(in) :: p
type(atom_set), intent(in) :: a(:)
type(basis), intent(in) :: b
type(wf_data), intent(in) :: f
character(len=*), intent(in) :: filename
logical, intent(in), optional :: cartesian