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        Adding_Graph_to_ChangeBondActions
        Adding_MD_integration_tests
        Adding_ParticleName_to_Atom
        Adding_StructOpt_integration_tests
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        Candidate_v1.6.1
        Candidate_v1.7.0
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        ChemicalSpaceEvaluator
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        Debian_package_split_molecuildergui_only
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        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Example_ManyWaysToTranslateAtom
        Exclude_Hydrogens_annealWithBondGraph
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        Fix_PopActions
        Fix_QtFragmentList_sorted_selection
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        Fix_StatusMsg
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        Fix_Verbose_Codepatterns
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        Fixes
        ForceAnnealing_goodresults
        ForceAnnealing_oldresults
        ForceAnnealing_tocheck
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_continued
        ForceAnnealing_with_BondGraph_continued_betteresults
        ForceAnnealing_with_BondGraph_contraction-expansion
        FragmentAction_writes_AtomFragments
        FragmentMolecule_checks_bonddegrees
        GeometryObjects
        Gui_Fixes
        Gui_displays_atomic_force_velocity
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        IndependentFragmentGrids_IndividualZeroInstances
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        stable
      
      
        
          | 
            Last change
 on this file since 92d756 was             bbf1bd, checked in by Frederik Heber <heber@…>, 15 years ago           | 
        
        
          | 
             
Extended VectorContent class. 
 
- VectorContent formerly has been just a structure to contain the gsl_vector
due to forward declaration reasons.
 - now VectorContent is a true wrapper to gsl_vector, i.e. all functionality
that is now specific to 3 dimensions has been shifted from GSLVector over to
VectorContent.
 - VectorContentView is preserved to allow for VectorContent as a view on a
row or column of a matrix.
 - changed and renamed unit test gslvectorunittest -> VectorContentUnitTest
 - GSLVector is not used anymore anywhere
 - one long-sough error was a missing assignment operator filled-in in a wrong
manner by the compiler for VectorContent.
 
 
Note that: 
 
- gsl_vector is still used at many places
  
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          | 
            File size:
            1.2 KB
           | 
        
      
      
| Rev | Line |   | 
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| [f60610] | 1 | /*
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 | 2 |  * linearsystemofequations.hpp
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 | 3 |  *
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 | 4 |  *  Created on: Jan 8, 2010
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 | 5 |  *      Author: heber
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 | 6 |  */
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 | 7 | 
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| [8dc761] | 8 | #ifndef LINEARSYSTEMSOFEQUATIONS_HPP
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 | 9 | #define LINEARSYSTEMSOFEQUATIONS_HPP
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| [f60610] | 10 | 
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 | 11 | /*********************************************** includes ***********************************/
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 | 12 | 
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| [1f61b6] | 13 | // include config.h
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 | 14 | #ifdef HAVE_CONFIG_H
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 | 15 | #include <config.h>
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 | 16 | #endif
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 | 17 | 
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| [f60610] | 18 | #include <gsl/gsl_linalg.h>
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 | 19 | 
 | 
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 | 20 | /****************************************** forward declarations *****************************/
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 | 21 | 
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 | 22 | class Vector;
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| [0d4424] | 23 | class MatrixContent;
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| [bbf1bd] | 24 | class VectorContent;
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| [f60610] | 25 | 
 | 
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 | 26 | /********************************************** declarations *******************************/
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 | 27 | 
 | 
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 | 28 | /** Solver class for a linear system of equations in the form \f$A \cdot x = b\F$.
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 | 29 |  *
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 | 30 |  */
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 | 31 | class LinearSystemOfEquations {
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 | 32 | public:
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 | 33 |   LinearSystemOfEquations(int n, int m);
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 | 34 |   ~LinearSystemOfEquations();
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 | 35 | 
 | 
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 | 36 |   // setting
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 | 37 |   void Setb(Vector *x);
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 | 38 |   void Setb(double *x);
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 | 39 |   void SetA(double *x);
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 | 40 |   bool SetSymmetric(bool symmetric);
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 | 41 | 
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 | 42 |   // solving
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 | 43 |   bool GetSolutionAsArray(double *&array);
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 | 44 |   bool GetSolutionAsVector(Vector &v);
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 | 45 | 
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| [bbf1bd] | 46 |   VectorContent *b;
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 | 47 |   VectorContent *x;
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| [0d4424] | 48 |   MatrixContent *A;
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| [f60610] | 49 | 
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 | 50 | private:
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 | 51 |   bool Solve();
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 | 52 | 
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 | 53 |   int rows;
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 | 54 |   int columns;
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 | 55 | 
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 | 56 |   bool IsSymmetric;
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 | 57 | };
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| [8dc761] | 58 | 
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 | 59 | #endif /* LINEARSYSTEMSOFEQUATIONS_HPP */
 | 
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