source: src/linearsystemofequations.hpp@ ba9f5b

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials 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 ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since ba9f5b was 1f61b6, checked in by Frederik Heber <heber@…>, 15 years ago

Inclusion of config.h was missing.

This caused a bug with GSL's inline function definition.

Signed-off-by: Frederik Heber <heber@tabletINS.(none)>

  • Property mode set to 100644
File size: 1.1 KB
Line 
1/*
2 * linearsystemofequations.hpp
3 *
4 * Created on: Jan 8, 2010
5 * Author: heber
6 */
7
8using namespace std;
9
10/*********************************************** includes ***********************************/
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17#include <gsl/gsl_linalg.h>
18
19/****************************************** forward declarations *****************************/
20
21class Vector;
22class GSLMatrix;
23class GSLVector;
24
25/********************************************** declarations *******************************/
26
27/** Solver class for a linear system of equations in the form \f$A \cdot x = b\F$.
28 *
29 */
30class LinearSystemOfEquations {
31public:
32 LinearSystemOfEquations(int n, int m);
33 ~LinearSystemOfEquations();
34
35 // setting
36 void Setb(Vector *x);
37 void Setb(double *x);
38 void SetA(double *x);
39 bool SetSymmetric(bool symmetric);
40
41 // solving
42 bool GetSolutionAsArray(double *&array);
43 bool GetSolutionAsVector(Vector &v);
44
45 GSLVector *b;
46 GSLVector *x;
47 GSLMatrix *A;
48
49private:
50 bool Solve();
51
52 int rows;
53 int columns;
54
55 bool IsSymmetric;
56};
Note: See TracBrowser for help on using the repository browser.