Changeset 291eca


Ignore:
Timestamp:
Oct 5, 2013, 9:33:18 AM (11 years ago)
Author:
Frederik Heber <heber@…>
Branches:
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
Children:
4e6a60
Parents:
a8f5d94
git-author:
Frederik Heber <heber@…> (10/05/13 09:25:14)
git-committer:
Frederik Heber <heber@…> (10/05/13 09:33:18)
Message:

Extracted all length,angle, ... function inside potentials into functors.

  • all implement Coordinator interface for later factory pattern.
Location:
src/Potentials
Files:
12 added
1 edited

Legend:

Unmodified
Added
Removed
  • src/Potentials/Makefile.am

    ra8f5d94 r291eca  
    1313  Potentials/PotentialSerializer.cpp \
    1414  Potentials/SerializablePotential.cpp \
     15  Potentials/InternalCoordinates/FourBody_ImproperAngle.cpp \
     16  Potentials/InternalCoordinates/FourBody_TorsionAngle.cpp \
     17  Potentials/InternalCoordinates/OneBody_Constant.cpp \
     18  Potentials/InternalCoordinates/ThreeBody_Angle.cpp \
     19  Potentials/InternalCoordinates/TwoBody_Length.cpp \
    1520  Potentials/Specifics/ConstantPotential.cpp \
    1621  Potentials/Specifics/FourBodyPotential_Improper.cpp \
     
    2833  Potentials/Exceptions.hpp \
    2934  Potentials/helpers.hpp \
     35  Potentials/InternalCoordinates/Coordinator.hpp \
     36  Potentials/InternalCoordinates/FourBody_ImproperAngle.hpp \
     37  Potentials/InternalCoordinates/FourBody_TorsionAngle.hpp \
     38  Potentials/InternalCoordinates/OneBody_Constant.hpp \
     39  Potentials/InternalCoordinates/ThreeBody_Angle.hpp \
     40  Potentials/InternalCoordinates/TwoBody_Length.hpp \
    3041  Potentials/PartialNucleiChargeFitter.hpp \
    3142  Potentials/ParticleTypeCheckers.hpp \
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