source: src/Potentials/Specifics@ 0932c2

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
Name Size Rev Age Author Last Change
../
unittests 0932c2   11 years FrederikHeber FIX: RandomNumberEngine_Encapsulation::clone() did not set the seed …
ConstantPotential.cpp 5.9 KB ​ 94453f1   11 years FrederikHeber Added getCoordinator() to EmpiricalPotential interface. - implemented …
ConstantPotential.hpp 5.8 KB ​ 94453f1   11 years FrederikHeber Added getCoordinator() to EmpiricalPotential interface. - implemented …
FourBodyPotential_Improper.cpp 2.6 KB ​ 94453f1   11 years FrederikHeber Added getCoordinator() to EmpiricalPotential interface. - implemented …
FourBodyPotential_Improper.hpp 2.5 KB ​ 94453f1   11 years FrederikHeber Added getCoordinator() to EmpiricalPotential interface. - implemented …
FourBodyPotential_Torsion.cpp 9.4 KB ​ 0932c2   11 years FrederikHeber FIX: RandomNumberEngine_Encapsulation::clone() did not set the seed …
FourBodyPotential_Torsion.hpp 6.4 KB ​ 94453f1   11 years FrederikHeber Added getCoordinator() to EmpiricalPotential interface. - implemented …
ManyBodyPotential_Tersoff.cpp 22.5 KB ​ 0932c2   11 years FrederikHeber FIX: RandomNumberEngine_Encapsulation::clone() did not set the seed …
ManyBodyPotential_Tersoff.hpp 9.8 KB ​ 94453f1   11 years FrederikHeber Added getCoordinator() to EmpiricalPotential interface. - implemented …
PairPotential_Harmonic.cpp 7.4 KB ​ 0932c2   11 years FrederikHeber FIX: RandomNumberEngine_Encapsulation::clone() did not set the seed …
PairPotential_Harmonic.hpp 5.9 KB ​ 94453f1   11 years FrederikHeber Added getCoordinator() to EmpiricalPotential interface. - implemented …
PairPotential_LennardJones.cpp 7.3 KB ​ 0932c2   11 years FrederikHeber FIX: RandomNumberEngine_Encapsulation::clone() did not set the seed …
PairPotential_LennardJones.hpp 6.0 KB ​ 94453f1   11 years FrederikHeber Added getCoordinator() to EmpiricalPotential interface. - implemented …
PairPotential_Morse.cpp 8.7 KB ​ 0932c2   11 years FrederikHeber FIX: RandomNumberEngine_Encapsulation::clone() did not set the seed …
PairPotential_Morse.hpp 6.0 KB ​ 94453f1   11 years FrederikHeber Added getCoordinator() to EmpiricalPotential interface. - implemented …
PotentialTypes.cpp 1.4 KB ​ acc9b1   11 years FrederikHeber FIX: Added new copyright lines to files in src/Potentials, too.
PotentialTypes.def 315 bytes ​ ff90e3   11 years FrederikHeber Renamed potential token harmonic to harmonic_bond.
PotentialTypes.hpp 1.6 KB ​ a86666   12 years FrederikHeber Added PotentialTypes.
PotentialTypes.undef 52 bytes ​ a86666   12 years FrederikHeber Added PotentialTypes.
ThreeBodyPotential_Angle.cpp 8.5 KB ​ 0932c2   11 years FrederikHeber FIX: RandomNumberEngine_Encapsulation::clone() did not set the seed …
ThreeBodyPotential_Angle.hpp 6.2 KB ​ 94453f1   11 years FrederikHeber Added getCoordinator() to EmpiricalPotential interface. - implemented …
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