MPQC 2.3.1

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conv.h

    00001 //
    00002 // conv.h
    00003 //
    00004 // Copyright (C) 1996 Limit Point Systems, Inc.
    00005 //
    00006 // Author: Curtis Janssen <cljanss@limitpt.com>
    00007 // Maintainer: LPS
    00008 //
    00009 // This file is part of the SC Toolkit.
    00010 //
    00011 // The SC Toolkit is free software; you can redistribute it and/or modify
    00012 // it under the terms of the GNU Library General Public License as published by
    00013 // the Free Software Foundation; either version 2, or (at your option)
    00014 // any later version.
    00015 //
    00016 // The SC Toolkit is distributed in the hope that it will be useful,
    00017 // but WITHOUT ANY WARRANTY; without even the implied warranty of
    00018 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    00019 // GNU Library General Public License for more details.
    00020 //
    00021 // You should have received a copy of the GNU Library General Public License
    00022 // along with the SC Toolkit; see the file COPYING.LIB.  If not, write to
    00023 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
    00024 //
    00025 // The U.S. Government is granted a limited license as per AL 91-7.
    00026 //
    00027
    00028 #ifndef _math_optimize_conv_h
    00029 #define _math_optimize_conv_h
    00030
    00031 #ifdef __GNUC__
    00032 #pragma interface
    00033 #endif
    00034
    00035 #include <util/state/state.h>
    00036 #include <util/class/class.h>
    00037 #include <math/scmat/matrix.h>
    00038 #include <math/optimize/function.h>
    00039
    00040 namespace sc {
    00041
    00042 // //////////////////////////////////////////////////////////////////////
    00043
    00056 class Convergence: virtual public SavableState {
    00057   protected:
    00058     RefSCVector grad_;
    00059     RefSCVector x_;
    00060     RefSCVector nextx_;
    00061     int use_max_disp_;
    00062     double max_disp_;
    00063     int use_max_grad_;
    00064     double max_grad_;
    00065     int use_rms_disp_;
    00066     double rms_disp_;
    00067     int use_rms_grad_;
    00068     double rms_grad_;
    00069     int use_graddisp_;
    00070     double graddisp_;
    00071
    00072     void check_conv(const char *heading,
    00073                     double val, double bound,
    00074                     int &pass, int &fail);
    00075
    00076     void set_defaults();
    00077   public:
    00078     Convergence();
    00079     Convergence(double tolerance);
    00080     Convergence(StateIn&);
    00081
    00118     Convergence(const Ref<KeyVal>&);
    00119     virtual ~Convergence();
    00120
    00121     void save_data_state(StateOut&);
    00122
    00124     virtual void get_grad(const Ref<Function> &);
    00125     virtual void get_x(const Ref<Function> &);
    00126     virtual void set_nextx(const RefSCVector &);
    00127
    00129     virtual void reset();
    00130
    00132     virtual int converged();
    00133 };
    00134
    00135 }
    00136
    00137 #endif
    00138
    00139 // Local Variables:
    00140 // mode: c++
    00141 // c-file-style: "CLJ"
    00142 // End: