xmolecule_get_bondorder Subroutine

public subroutine xmolecule_get_bondorder(xdata_cptr, bo, n_atom) bind(c)

returns bond order analysis

Arguments

Type	Intent	Optional	Attributes		Name
type(c_ptr),	intent(inout)			::	xdata_cptr
real(kind=c_double),	intent(inout)			::	bo(n_atom,n_atom)
integer(kind=c_int),	intent(inout)			::	n_atom