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
        Candidate_v1.7.0
        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 14cce6 was             d2b28f, checked in by Frederik Heber <heber@…>, 15 years ago | 
        
          | 
Added missing MemDebug include to various implementation files.
 | 
        
          | 
              
Property                 mode
 set to                 100644 | 
        
          | File size:
            945 bytes | 
      
      
| Rev | Line |  | 
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| [e3e6e2] | 1 | /* | 
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|  | 2 | * BoxVector.cpp | 
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|  | 3 | * | 
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|  | 4 | *  Created on: Aug 26, 2010 | 
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|  | 5 | *      Author: heber | 
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|  | 6 | */ | 
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|  | 7 |  | 
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| [d2b28f] | 8 | // include config.h | 
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|  | 9 | #ifdef HAVE_CONFIG_H | 
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|  | 10 | #include <config.h> | 
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|  | 11 | #endif | 
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|  | 12 |  | 
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|  | 13 | #include "Helpers/MemDebug.hpp" | 
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|  | 14 |  | 
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| [e3e6e2] | 15 | #include <iostream> | 
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|  | 16 |  | 
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|  | 17 | #include "LinearAlgebra/BoxVector.hpp" | 
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|  | 18 | #include "LinearAlgebra/Vector.hpp" | 
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|  | 19 |  | 
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|  | 20 | BoxVector::BoxVector() | 
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|  | 21 | {} | 
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|  | 22 |  | 
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|  | 23 | BoxVector::~BoxVector() | 
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|  | 24 | {} | 
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|  | 25 |  | 
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|  | 26 | /** Factors given vector \a a times \a m. | 
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|  | 27 | * \param a vector | 
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|  | 28 | * \param m factor | 
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|  | 29 | * \return m * a | 
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|  | 30 | */ | 
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|  | 31 | BoxVector const operator*(const BoxVector& a, const double m) | 
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|  | 32 | { | 
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|  | 33 | BoxVector x(a); | 
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|  | 34 | x.Scale(m); | 
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|  | 35 | return x; | 
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|  | 36 | }; | 
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|  | 37 |  | 
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|  | 38 | /** Factors given vector \a a times \a m. | 
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|  | 39 | * \param m factor | 
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|  | 40 | * \param a vector | 
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|  | 41 | * \return m * a | 
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|  | 42 | */ | 
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|  | 43 | BoxVector const operator*(const double m, const BoxVector& a ) | 
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|  | 44 | { | 
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|  | 45 | BoxVector x(a); | 
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|  | 46 | x.Scale(m); | 
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|  | 47 | return x; | 
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|  | 48 | }; | 
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|  | 49 |  | 
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|  | 50 | ostream& operator<<(ostream& ost, const BoxVector& m) | 
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|  | 51 | { | 
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|  | 52 | ost << "("; | 
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|  | 53 | for (int i=0;i<NDIM;i++) { | 
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|  | 54 | ost << m[i]; | 
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|  | 55 | if (i != 2) | 
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|  | 56 | ost << ","; | 
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|  | 57 | } | 
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|  | 58 | ost << ")"; | 
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|  | 59 | return ost; | 
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|  | 60 | }; | 
|---|
       
      
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