xmolecule_get_mo_coef Subroutine

public subroutine xmolecule_get_mo_coef(xdata_cptr, mo_coef, l_mo, l_ao) bind(c)

return LCAO coefficients

Arguments

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