MPQC 2.3.1
efc.h
1//
2// efc.h
3//
4// Copyright (C) 1996 Limit Point Systems, Inc.
5//
6// Author: Edward Seidl <seidl@janed.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_efc_h
29#define _math_optimize_efc_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#include <math/optimize/opt.h>
40#include <math/optimize/update.h>
41
42namespace sc {
43
49class EFCOpt: public Optimize {
50 protected:
51 int tstate;
52 int modef;
53
54 double maxabs_gradient;
55 double convergence_;
56 double accuracy_;
57
58 RefSymmSCMatrix hessian_;
59 Ref<HessianUpdate> update_;
60 RefSCVector last_mode_;
61
62 public:
93 ~EFCOpt();
95
96 void apply_transform(const Ref<NonlinearTransform>&);
97
98 void init();
99 int update();
100};
101
102}
103
104#endif
105
106// Local Variables:
107// mode: c++
108// c-file-style: "ETS"
109// End:
The EFCOpt class implements eigenvector following as described by Baker in J.
Definition efc.h:49
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
void init()
Initialize the optimizer.
EFCOpt(const Ref< KeyVal > &)
The KeyVal constructor reads the following keywords:
int update()
Take a step.
The Optimize class is an abstract base class for classes that find the extreme points of Function's.
Definition opt.h:47
The RefSCVector class is a smart pointer to an SCVector specialization.
Definition matrix.h:55
The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization.
Definition matrix.h:261
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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