MPQC 2.3.1

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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
40 namespace sc {
41
42 // //////////////////////////////////////////////////////////////////////
43
56 class 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
118 Convergence(const Ref<KeyVal>&);
119 virtual ~Convergence();
120
121 void save_data_state(StateOut&);
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: