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 7d059d was 9c5296, checked in by Frederik Heber <heber@…>, 15 years ago |
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New classes Eigenspace and Subspace that contain eigen(sub)spaces.
- also added new test to SubspaceFactorizerUnitTest::Subspacetext().
- so far only constructs the full and nested sub spaces.
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-
Property mode
set to
100644
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File size:
1.5 KB
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| Rev | Line | |
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| [b4cf2b] | 1 | /*
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| 2 | * SubspaceFactorizerUnittest.hpp
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| 3 | *
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| 4 | * Created on: Nov 13, 2010
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef SUBSPACEFACTORIZERUNITTEST_HPP_
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| 9 | #define SUBSPACEFACTORIZERUNITTEST_HPP_
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| 10 |
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| 11 | #include <cppunit/extensions/HelperMacros.h>
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| 12 |
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| [9c5296] | 13 | class MatrixContent;
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| 14 | class VectorContent;
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| 15 | class Subspace;
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| 16 |
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| [40be55] | 17 | typedef std::set<size_t> IndexSet;
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| [9c5296] | 18 | typedef std::multimap< size_t, boost::shared_ptr<Subspace> > SubspaceMap;
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| [40be55] | 19 | typedef std::multimap< size_t, boost::shared_ptr<IndexSet> > IndexMap;
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| 20 | typedef std::list< boost::shared_ptr<VectorContent> > VectorList;
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| [742371] | 21 | typedef std::list< std::pair<boost::shared_ptr<VectorContent>, double> > VectorValueList;
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| [40be55] | 22 | typedef std::vector< boost::shared_ptr<VectorContent> > VectorArray;
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| [742371] | 23 | typedef std::vector< double > ValueArray;
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| [40be55] | 24 |
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| [b4cf2b] | 25 | class SubspaceFactorizerUnittest : public CppUnit::TestFixture
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| 26 | {
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| 27 | CPPUNIT_TEST_SUITE( SubspaceFactorizerUnittest) ;
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| 28 | CPPUNIT_TEST ( BlockTest );
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| [40be55] | 29 | CPPUNIT_TEST ( EigenvectorTest );
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| [9c5296] | 30 | CPPUNIT_TEST ( SubspaceTest );
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| [b4cf2b] | 31 | CPPUNIT_TEST_SUITE_END();
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| 32 |
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| 33 | public:
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| 34 | void setUp();
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| 35 | void tearDown();
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| 36 |
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| 37 | void BlockTest();
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| [40be55] | 38 | void EigenvectorTest();
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| [9c5296] | 39 | void SubspaceTest();
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| [b4cf2b] | 40 |
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| [f5bca2] | 41 | enum { matrixdimension = 3 };
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| 42 | private:
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| 43 |
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| 44 | MatrixContent *matrix;
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| [b4cf2b] | 45 |
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| [40be55] | 46 | MatrixContent ***transformation;
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| [b4cf2b] | 47 | };
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| 48 |
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| [40be55] | 49 | MatrixContent * getSubspaceMatrix(MatrixContent &bigmatrix, const IndexSet &rowindexset, const IndexSet &columnindexset);
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| 50 | void embedSubspaceMatrix(MatrixContent &bigmatrix, MatrixContent &subsystem, const IndexSet &rowindexset, const IndexSet &columnindexset);
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| 51 | std::ostream & operator<<(std::ostream &ost, const IndexSet &indexset);
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| 52 |
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| [b4cf2b] | 53 | #endif /* SUBSPACEFACTORIZERUNITTEST_HPP_ */
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