MPQC 2.3.1
conv.h
1//
2// conv.h
3//
4// Copyright (C) 1996 Limit Point Systems, Inc.
5//
6// Author: Curtis Janssen <cljanss@limitpt.com>
7// Maintainer: LPS
8//
9// This file is part of the SC Toolkit.
10//
11// The SC Toolkit is free software; you can redistribute it and/or modify
12// it under the terms of the GNU Library General Public License as published by
13// the Free Software Foundation; either version 2, or (at your option)
14// any later version.
15//
16// The SC Toolkit is distributed in the hope that it will be useful,
17// but WITHOUT ANY WARRANTY; without even the implied warranty of
18// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19// GNU Library General Public License for more details.
20//
21// You should have received a copy of the GNU Library General Public License
22// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24//
25// The U.S. Government is granted a limited license as per AL 91-7.
26//
27
28#ifndef _math_optimize_conv_h
29#define _math_optimize_conv_h
30
31#ifdef __GNUC__
32#pragma interface
33#endif
34
35#include <util/state/state.h>
36#include <util/class/class.h>
37#include <math/scmat/matrix.h>
38#include <math/optimize/function.h>
39
40namespace sc {
41
42// //////////////////////////////////////////////////////////////////////
43
56class Convergence: virtual public SavableState {
57 protected:
58 RefSCVector grad_;
59 RefSCVector x_;
60 RefSCVector nextx_;
61 int use_max_disp_;
62 double max_disp_;
63 int use_max_grad_;
64 double max_grad_;
65 int use_rms_disp_;
66 double rms_disp_;
67 int use_rms_grad_;
68 double rms_grad_;
69 int use_graddisp_;
70 double graddisp_;
71
72 void check_conv(const char *heading,
73 double val, double bound,
74 int &pass, int &fail);
75
76 void set_defaults();
77 public:
78 Convergence();
79 Convergence(double tolerance);
80 Convergence(StateIn&);
81
119 virtual ~Convergence();
120
122
124 virtual void get_grad(const Ref<Function> &);
125 virtual void get_x(const Ref<Function> &);
126 virtual void set_nextx(const RefSCVector &);
127
129 virtual void reset();
130
132 virtual int converged();
133};
134
135}
136
137#endif
138
139// Local Variables:
140// mode: c++
141// c-file-style: "CLJ"
142// End:
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.
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 ...
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:332
Restores objects that derive from SavableState.
Definition statein.h:70
Serializes objects that derive from SavableState.
Definition stateout.h:61

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