/usr/include/ghemical/conjgrad.h is in libghemical-dev 3.0.0-2ubuntu1.
This file is owned by root:root, with mode 0o644.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 | // CONJGRAD.H : a general-purpose conjugate-gradient optimizer class.
// Copyright (C) 1998 Tommi Hassinen.
// This package is free software; you can redistribute it and/or modify
// it under the terms of the GNU General Public License as published by
// the Free Software Foundation; either version 2 of the License, or
// (at your option) any later version.
// This package is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
// GNU General Public License for more details.
// You should have received a copy of the GNU General Public License
// along with this package; if not, write to the Free Software
// Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
/*################################################################################################*/
#ifndef CONJGRAD_H
#define CONJGRAD_H
#include "libghemicaldefine.h"
class conjugate_gradient;
/*################################################################################################*/
#include "typedef.h"
#include <vector>
using namespace std;
/*################################################################################################*/
/// Is used to hold some data about the variables.
struct cgvar
{
f64 * ref1; // ref to the variable
f64 * ref2; // ref to the derivative
f64 data1;
f64 data2;
};
/*################################################################################################*/
/// Is a generic Conjugate Gradient optimizer class.
/** This is supposed to be a common base class, and you should implement your own derived classes
which then define the function to be optimized by implementing the GetValue() function. */
class conjugate_gradient
{
public:
/// Available line-search modes.
/** The first-derivative methods look for zero, and the 2nd-derivative methods look for a local minimum. */
enum ls_mode
{
Const = 0, ///< Always takes the default step; for debugging purposes only!
Simple = 1, ///< A simple but VERY INEFFICIENT method.
Newton2An = 2, ///< Second-derivative Newton's method, half numerical.
Newton2Num = 3, ///< Second-derivative Newton's method, full numerical.
Newton1Num = 4 ///< First-derivative Newton's method, full numerical.
};
protected:
vector<cgvar> cgvar_vector;
f64 newip; f64 oldip; f64 beta;
public: // why public?!?!?!
i32s step; i32s reset;
f64 defstp; f64 maxstp;
f64 ngdelta;
f64 optstp; f64 optval;
public:
conjugate_gradient(i32s, f64, f64);
virtual ~conjugate_gradient(void);
void SetNGDelta(f64 p1) { ngdelta = p1; }
void AddVar(f64 *, f64 *);
/// Will perform a single Conjugate Gradient step, using the line search mode passed as a parameter.
/** Haataja J, Käpyaho J, Rahola J : "##Numeeriset menetelmät", CSC-Tieteellinen laskenta OY, 1993
*/
void TakeCGStep(ls_mode);
void InitLineSearch(f64);
/// Must compute the value of the function to be optimized, and return that value.
virtual f64 GetValue(void) = 0;
/// Must compute the 1st derivative value of the function to be optimized.
/** Must compute the first derivatives of the funcion to be optimized, and in
addition to that do the same that GetValue() does (that is, to compute the
value of the function to be optimized and return that value). A simple numerical
derivatives are computed by default, but you are encouraged to implement analytical
derivatives in your own derived classes; that will improve performance remarkably! */
virtual f64 GetGradient(void);
};
/*################################################################################################*/
#endif // CONJGRAD_H
// eof
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