xmolecule_set_irrep Subroutine

public subroutine xmolecule_set_irrep(xdata_cptr, irrep_in) bind(c)

set irreducible representation

Arguments

Type IntentOptional Attributes Name
type(c_ptr), intent(inout) :: xdata_cptr
integer(kind=c_int), intent(in) :: irrep_in