28#ifndef _math_optimize_conv_h
29#define _math_optimize_conv_h
31#include <util/state/state.h>
32#include <util/class/class.h>
33#include <math/scmat/matrix.h>
34#include <math/optimize/function.h>
68 void check_conv(
const char *heading,
69 double val,
double bound,
70 int &pass,
int &fail);
The Convergence class is used by the optimizer to determine when an optimization is converged.
Definition conv.h:52
virtual void reset()
Set the current gradient and displacement to null.
virtual int converged()
Return nonzero if the optimization has converged.
virtual void get_grad(const Ref< Function > &)
Set the current gradient and displacement.
void print(std::ostream &=ExEnv::out0()) const
Print the object.
Convergence(const Ref< KeyVal > &)
The KeyVal constructor reads the following keywords:
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
static std::ostream & out0()
Return an ostream that writes from node 0.
The RefSCVector class is a smart pointer to an SCVector specialization.
Definition matrix.h:55
A template class that maintains references counts.
Definition ref.h:361
Base class for objects that can save/restore state.
Definition state.h:45
Restores fundamental and user-defined types from images created with StateOut.
Definition statein.h:79
Serializes fundamental and user-defined types.
Definition stateout.h:71
Contains all MPQC code up to version 3.
Definition mpqcin.h:14