source: src/linearsystemofequations.hpp@ 796aa6

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 796aa6 was 8dc761, checked in by Tillmann Crueger <crueger@…>, 14 years ago

Added missing header guards in linearsystemofequations.hpp

  • Property mode set to 100644
File size: 1.2 KB
Line 
1/*
2 * linearsystemofequations.hpp
3 *
4 * Created on: Jan 8, 2010
5 * Author: heber
6 */
7
8#ifndef LINEARSYSTEMSOFEQUATIONS_HPP
9#define LINEARSYSTEMSOFEQUATIONS_HPP
10
11/*********************************************** includes ***********************************/
12
13// include config.h
14#ifdef HAVE_CONFIG_H
15#include <config.h>
16#endif
17
18#include <gsl/gsl_linalg.h>
19
20/****************************************** forward declarations *****************************/
21
22class Vector;
23class GSLMatrix;
24class GSLVector;
25
26/********************************************** declarations *******************************/
27
28/** Solver class for a linear system of equations in the form \f$A \cdot x = b\F$.
29 *
30 */
31class LinearSystemOfEquations {
32public:
33 LinearSystemOfEquations(int n, int m);
34 ~LinearSystemOfEquations();
35
36 // setting
37 void Setb(Vector *x);
38 void Setb(double *x);
39 void SetA(double *x);
40 bool SetSymmetric(bool symmetric);
41
42 // solving
43 bool GetSolutionAsArray(double *&array);
44 bool GetSolutionAsVector(Vector &v);
45
46 GSLVector *b;
47 GSLVector *x;
48 GSLMatrix *A;
49
50private:
51 bool Solve();
52
53 int rows;
54 int columns;
55
56 bool IsSymmetric;
57};
58
59#endif /* LINEARSYSTEMSOFEQUATIONS_HPP */
Note: See TracBrowser for help on using the repository browser.