xmolecule_set_multp Subroutine

public subroutine xmolecule_set_multp(xdata_cptr, multp_in) bind(c)

set spin multiplicity

Arguments

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