public subroutine error_function(X, Fobj, dF, func_data)

error_function

Error function for phase-equilibria optimization. Using two-phase points and an error function of:

$$FO = \sum_i (\frac{P_i^{exp} - P_i^{calc}}{P_i^{exp}})^2 + \sum_i (y_i^{exp} - y_i^{calc})**2 + \sum_i (x_i^{exp} - x_i^{calc})**2$$

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=pr),	intent(in)			::	X(:)	Vector of parameters
real(kind=pr),	intent(out)			::	Fobj	Objective function
real(kind=pr),	intent(out),	optional		::	dF(:)	Gradient of the objective function, only exists to be consistent with the Optimizer class API
class(*),	intent(inout),	optional		::	func_data

Variables

Type	Visibility	Attributes		Name		Initial
type(EquilibriumState),	public		::	exp_point
integer,	public		::	i
type(EquilibriumState),	public		::	model_point			Each solved point
integer,	public		::	n_nconv
logical,	public		::	pt_converged