Changeset 484e2a for src/Potentials/Specifics/ThreeBodyPotential_Angle.hpp
- Timestamp:
- Aug 9, 2013, 2:20:37 PM (12 years ago)
- 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:
- e2037e
- Parents:
- 1413f4
- git-author:
- Frederik Heber <heber@…> (07/08/13 07:20:55)
- git-committer:
- Frederik Heber <heber@…> (08/09/13 14:20:37)
- File:
-
- 1 moved
Legend:
- Unmodified
- Added
- Removed
-
src/Potentials/Specifics/ThreeBodyPotential_Angle.hpp
r1413f4 r484e2a 1 1 /* 2 * PairPotential_Angle.hpp2 * ThreeBodyPotential_Angle.hpp 3 3 * 4 4 * Created on: Oct 11, 2012 … … 6 6 */ 7 7 8 #ifndef PAIRPOTENTIAL_ANGLE_HPP_9 #define PAIRPOTENTIAL_ANGLE_HPP_8 #ifndef THREEBODYPOTENTIAL_ANGLE_HPP_ 9 #define THREEBODYPOTENTIAL_ANGLE_HPP_ 10 10 11 11 … … 27 27 * 28 28 */ 29 class PairPotential_Angle :29 class ThreeBodyPotential_Angle : 30 30 public EmpiricalPotential 31 31 { 32 32 //!> grant unit test access to internal parts 33 friend class PairPotential_AngleTest;33 friend class ThreeBodyPotential_AngleTest; 34 34 //!> grant PotentialFactory access to default cstor 35 35 friend class PotentialFactory; … … 48 48 * 49 49 */ 50 PairPotential_Angle();50 ThreeBodyPotential_Angle(); 51 51 52 52 public: 53 PairPotential_Angle(const ParticleTypes_t &_ParticleTypes);54 PairPotential_Angle(53 ThreeBodyPotential_Angle(const ParticleTypes_t &_ParticleTypes); 54 ThreeBodyPotential_Angle( 55 55 const ParticleTypes_t &_ParticleTypes, 56 56 const double _spring_constant, 57 57 const double _equilibrium_distance); 58 virtual ~ PairPotential_Angle() {}58 virtual ~ThreeBodyPotential_Angle() {} 59 59 60 60 /** Setter for parameters as required by FunctionModel interface. … … 204 204 }; 205 205 206 #endif /* PAIRPOTENTIAL_ANGLE_HPP_ */206 #endif /* THREEBODYPOTENTIAL_ANGLE_HPP_ */
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