Changeset 9eb71b3 for src/Potentials/Specifics
- Timestamp:
- May 5, 2017, 2:08:59 PM (8 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, Fix_ChronosMutex, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes
- Children:
- ac9dc8
- Parents:
- aa91de0
- git-author:
- Frederik Heber <frederik.heber@…> (05/05/17 12:22:20)
- git-committer:
- Frederik Heber <frederik.heber@…> (05/05/17 14:08:59)
- Location:
- src/Potentials/Specifics
- Files:
-
- 9 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Potentials/Specifics/ConstantPotential.cpp
raa91de0 r9eb71b3 36 36 #endif 37 37 38 #include "CodePatterns/MemDebug.hpp"38 //#include "CodePatterns/MemDebug.hpp" 39 39 40 40 #include "ConstantPotential.hpp" … … 63 63 ; 64 64 const std::string ConstantPotential::potential_token("constant"); 65 Coordinator::ptr ConstantPotential::coordinator( Memory::ignore(new OneBody_Constant()));65 Coordinator::ptr ConstantPotential::coordinator( /* Memory::ignore( */ new OneBody_Constant() /*) */); 66 66 67 67 static BindingModel generateBindingModel(const EmpiricalPotential::ParticleTypes_t &_ParticleTypes) -
src/Potentials/Specifics/FourBodyPotential_Improper.cpp
raa91de0 r9eb71b3 33 33 #endif 34 34 35 #include "CodePatterns/MemDebug.hpp"35 //#include "CodePatterns/MemDebug.hpp" 36 36 37 37 #include "CodePatterns/Assert.hpp" … … 51 51 ; 52 52 const std::string FourBodyPotential_Improper::improper_token("improper"); 53 Coordinator::ptr FourBodyPotential_Improper::coordinator( Memory::ignore(new FourBody_ImproperAngle()));53 Coordinator::ptr FourBodyPotential_Improper::coordinator( /* Memory::ignore( */ new FourBody_ImproperAngle() /* ) */ ); 54 54 55 55 static BindingModel generateBindingModel(const EmpiricalPotential::ParticleTypes_t &_ParticleTypes) -
src/Potentials/Specifics/FourBodyPotential_Torsion.cpp
raa91de0 r9eb71b3 35 35 #endif 36 36 37 #include "CodePatterns/MemDebug.hpp"37 //#include "CodePatterns/MemDebug.hpp" 38 38 39 39 #include "FourBodyPotential_Torsion.hpp" … … 64 64 ; 65 65 const std::string FourBodyPotential_Torsion::potential_token("torsion"); 66 Coordinator::ptr FourBodyPotential_Torsion::coordinator( Memory::ignore(new FourBody_TorsionAngle()));66 Coordinator::ptr FourBodyPotential_Torsion::coordinator( /* Memory::ignore( */ new FourBody_TorsionAngle() /* ) */ ); 67 67 68 68 static BindingModel generateBindingModel(const EmpiricalPotential::ParticleTypes_t &_ParticleTypes) -
src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp
raa91de0 r9eb71b3 36 36 #endif 37 37 38 #include "CodePatterns/MemDebug.hpp"38 //#include "CodePatterns/MemDebug.hpp" 39 39 40 40 #include "ManyBodyPotential_Tersoff.hpp" … … 80 80 ; 81 81 const std::string ManyBodyPotential_Tersoff::potential_token("tersoff"); 82 Coordinator::ptr ManyBodyPotential_Tersoff::coordinator( Memory::ignore(new OneBody_Constant()));82 Coordinator::ptr ManyBodyPotential_Tersoff::coordinator( /* Memory::ignore( */ new OneBody_Constant() /* ) */ ); 83 83 84 84 static BindingModel generateBindingModel(const EmpiricalPotential::ParticleTypes_t &_ParticleTypes) -
src/Potentials/Specifics/PairPotential_Harmonic.cpp
raa91de0 r9eb71b3 36 36 #endif 37 37 38 #include "CodePatterns/MemDebug.hpp"38 //#include "CodePatterns/MemDebug.hpp" 39 39 40 40 #include "PairPotential_Harmonic.hpp" … … 65 65 ; 66 66 const std::string PairPotential_Harmonic::potential_token("harmonic_bond"); 67 Coordinator::ptr PairPotential_Harmonic::coordinator( Memory::ignore(new TwoBody_Length()));67 Coordinator::ptr PairPotential_Harmonic::coordinator( /* Memory::ignore( */ new TwoBody_Length() /* ) */ ); 68 68 69 69 static BindingModel generateBindingModel(const EmpiricalPotential::ParticleTypes_t &_ParticleTypes) -
src/Potentials/Specifics/PairPotential_LennardJones.cpp
raa91de0 r9eb71b3 35 35 #endif 36 36 37 #include "CodePatterns/MemDebug.hpp"37 //#include "CodePatterns/MemDebug.hpp" 38 38 39 39 #include "PairPotential_LennardJones.hpp" … … 65 65 ; 66 66 const std::string PairPotential_LennardJones::potential_token("lennardjones"); 67 Coordinator::ptr PairPotential_LennardJones::coordinator( Memory::ignore(new TwoBody_Length()));67 Coordinator::ptr PairPotential_LennardJones::coordinator( /* Memory::ignore( */ new TwoBody_Length() /* ) */ ); 68 68 69 69 static BindingModel generateBindingModel(const EmpiricalPotential::ParticleTypes_t &_ParticleTypes) -
src/Potentials/Specifics/PairPotential_Morse.cpp
raa91de0 r9eb71b3 36 36 #endif 37 37 38 #include "CodePatterns/MemDebug.hpp"38 //#include "CodePatterns/MemDebug.hpp" 39 39 40 40 #include "PairPotential_Morse.hpp" … … 67 67 ; 68 68 const std::string PairPotential_Morse::potential_token("morse"); 69 Coordinator::ptr PairPotential_Morse::coordinator( Memory::ignore(new TwoBody_Length()));69 Coordinator::ptr PairPotential_Morse::coordinator( /* Memory::ignore( */ new TwoBody_Length() /* ) */ ); 70 70 71 71 static BindingModel generateBindingModel(const EmpiricalPotential::ParticleTypes_t &_ParticleTypes) -
src/Potentials/Specifics/PotentialTypes.cpp
raa91de0 r9eb71b3 34 34 #endif 35 35 36 #include "CodePatterns/MemDebug.hpp"36 //#include "CodePatterns/MemDebug.hpp" 37 37 38 38 #include "PotentialTypes.hpp" -
src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp
raa91de0 r9eb71b3 36 36 #endif 37 37 38 #include "CodePatterns/MemDebug.hpp"38 //#include "CodePatterns/MemDebug.hpp" 39 39 40 40 #include "ThreeBodyPotential_Angle.hpp" … … 65 65 ; 66 66 const std::string ThreeBodyPotential_Angle::potential_token("harmonic_angle"); 67 Coordinator::ptr ThreeBodyPotential_Angle::coordinator( Memory::ignore(new ThreeBody_Angle()));67 Coordinator::ptr ThreeBodyPotential_Angle::coordinator( /* Memory::ignore( */ new ThreeBody_Angle() /* ) */ ); 68 68 69 69 static BindingModel generateBindingModel(const EmpiricalPotential::ParticleTypes_t &_ParticleTypes)
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