- Timestamp:
- Oct 19, 2014, 5:13:09 PM (10 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:
- 1b6cec
- Parents:
- 4da4de
- git-author:
- Frederik Heber <heber@…> (09/29/14 14:40:10)
- git-committer:
- Frederik Heber <heber@…> (10/19/14 17:13:09)
- Location:
- src/Potentials/Specifics
- Files:
-
- 8 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Potentials/Specifics/ConstantPotential.cpp
r4da4de r7d320c 63 63 ; 64 64 const std::string ConstantPotential::potential_token("constant"); 65 Coordinator::ptr ConstantPotential::coordinator( new OneBody_Constant());65 Coordinator::ptr ConstantPotential::coordinator(Memory::ignore(new OneBody_Constant())); 66 66 67 67 ConstantPotential::ConstantPotential() : -
src/Potentials/Specifics/FourBodyPotential_Improper.cpp
r4da4de r7d320c 49 49 ; 50 50 const std::string FourBodyPotential_Improper::improper_token("improper"); 51 Coordinator::ptr FourBodyPotential_Improper::coordinator( new FourBody_ImproperAngle());51 Coordinator::ptr FourBodyPotential_Improper::coordinator(Memory::ignore(new FourBody_ImproperAngle())); 52 52 53 53 FourBodyPotential_Improper::FourBodyPotential_Improper() : -
src/Potentials/Specifics/FourBodyPotential_Torsion.cpp
r4da4de r7d320c 64 64 ; 65 65 const std::string FourBodyPotential_Torsion::potential_token("torsion"); 66 Coordinator::ptr FourBodyPotential_Torsion::coordinator( new FourBody_TorsionAngle());66 Coordinator::ptr FourBodyPotential_Torsion::coordinator(Memory::ignore(new FourBody_TorsionAngle())); 67 67 68 68 FourBodyPotential_Torsion::FourBodyPotential_Torsion() : -
src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp
r4da4de r7d320c 80 80 ; 81 81 const std::string ManyBodyPotential_Tersoff::potential_token("tersoff"); 82 Coordinator::ptr ManyBodyPotential_Tersoff::coordinator( new OneBody_Constant());82 Coordinator::ptr ManyBodyPotential_Tersoff::coordinator(Memory::ignore(new OneBody_Constant())); 83 83 84 84 ManyBodyPotential_Tersoff::ManyBodyPotential_Tersoff() : -
src/Potentials/Specifics/PairPotential_Harmonic.cpp
r4da4de r7d320c 65 65 ; 66 66 const std::string PairPotential_Harmonic::potential_token("harmonic_bond"); 67 Coordinator::ptr PairPotential_Harmonic::coordinator( new TwoBody_Length());67 Coordinator::ptr PairPotential_Harmonic::coordinator(Memory::ignore(new TwoBody_Length())); 68 68 69 69 PairPotential_Harmonic::PairPotential_Harmonic() : -
src/Potentials/Specifics/PairPotential_LennardJones.cpp
r4da4de r7d320c 65 65 ; 66 66 const std::string PairPotential_LennardJones::potential_token("lennardjones"); 67 Coordinator::ptr PairPotential_LennardJones::coordinator( new TwoBody_Length());67 Coordinator::ptr PairPotential_LennardJones::coordinator(Memory::ignore(new TwoBody_Length())); 68 68 69 69 void PairPotential_LennardJones::setDefaultParameters() -
src/Potentials/Specifics/PairPotential_Morse.cpp
r4da4de r7d320c 67 67 ; 68 68 const std::string PairPotential_Morse::potential_token("morse"); 69 Coordinator::ptr PairPotential_Morse::coordinator( new TwoBody_Length());69 Coordinator::ptr PairPotential_Morse::coordinator(Memory::ignore(new TwoBody_Length())); 70 70 71 71 PairPotential_Morse::PairPotential_Morse() : -
src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp
r4da4de r7d320c 65 65 ; 66 66 const std::string ThreeBodyPotential_Angle::potential_token("harmonic_angle"); 67 Coordinator::ptr ThreeBodyPotential_Angle::coordinator( new ThreeBody_Angle());67 Coordinator::ptr ThreeBodyPotential_Angle::coordinator(Memory::ignore(new ThreeBody_Angle())); 68 68 69 69 ThreeBodyPotential_Angle::ThreeBodyPotential_Angle() :
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