xmolecule_get_population Subroutine

public subroutine xmolecule_get_population(xdata_cptr, pop, l_mo, l_atom) bind(c)

compute orbital population analysis

Arguments

Type	Intent	Optional	Attributes		Name
type(c_ptr),	intent(inout)			::	xdata_cptr
real(kind=c_double),	intent(inout)			::	pop(l_mo,l_atom)
integer(kind=c_int),	intent(in)			::	l_mo
integer(kind=c_int),	intent(in)			::	l_atom