source: src/Potentials/Specifics@ 76096d

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 791a12   11 years FrederikHeber Added improper potential based on torsion potential with flipped …
ThreeBodyPotential_Angle.hpp 5.8 KB ​ 484e2a   11 years FrederikHeber Renamed PairPotential_Angle -> ThreeBodyPotential_Angle and also UnitTest.
ThreeBodyPotential_Angle.cpp 8.0 KB ​ 484e2a   11 years FrederikHeber Renamed PairPotential_Angle -> ThreeBodyPotential_Angle and also UnitTest.
PotentialTypes.undef 52 bytes ​ a86666   12 years FrederikHeber Added PotentialTypes.
PotentialTypes.hpp 1.6 KB ​ a86666   12 years FrederikHeber Added PotentialTypes.
PotentialTypes.def 315 bytes ​ ff90e3   11 years FrederikHeber Renamed potential token harmonic to harmonic_bond.
PotentialTypes.cpp 1.4 KB ​ acc9b1   12 years FrederikHeber FIX: Added new copyright lines to files in src/Potentials, too.
PairPotential_Morse.hpp 5.6 KB ​ 0f5d38   11 years FrederikHeber Added getSpecificFilter() and getSpecificArgumentCount() to …
PairPotential_Morse.cpp 8.3 KB ​ 51e0e3   11 years FrederikHeber Added two filter functions to Extractors. - renamed …
PairPotential_LennardJones.hpp 5.6 KB ​ 1413f4   11 years FrederikHeber Added LennardJones pair potential. - this is for later fitting …
PairPotential_LennardJones.cpp 6.9 KB ​ 1413f4   11 years FrederikHeber Added LennardJones pair potential. - this is for later fitting …
PairPotential_Harmonic.hpp 5.6 KB ​ 0f5d38   11 years FrederikHeber Added getSpecificFilter() and getSpecificArgumentCount() to …
PairPotential_Harmonic.cpp 7.0 KB ​ 51e0e3   11 years FrederikHeber Added two filter functions to Extractors. - renamed …
ManyBodyPotential_Tersoff.hpp 9.5 KB ​ 0f5d38   11 years FrederikHeber Added getSpecificFilter() and getSpecificArgumentCount() to …
ManyBodyPotential_Tersoff.cpp 22.0 KB ​ 51e0e3   11 years FrederikHeber Added two filter functions to Extractors. - renamed …
FourBodyPotential_Torsion.hpp 6.1 KB ​ a74a96   11 years FrederikHeber Made function_theta of FourBodyPotential_Torsion virtual. - also …
FourBodyPotential_Torsion.cpp 8.9 KB ​ e2037e   11 years FrederikHeber Added FourBodyPotential_Torsion. - also added regression test to …
FourBodyPotential_Improper.hpp 2.2 KB ​ 791a12   11 years FrederikHeber Added improper potential based on torsion potential with flipped …
FourBodyPotential_Improper.cpp 2.4 KB ​ 791a12   11 years FrederikHeber Added improper potential based on torsion potential with flipped …
ConstantPotential.hpp 5.5 KB ​ 0f5d38   11 years FrederikHeber Added getSpecificFilter() and getSpecificArgumentCount() to …
ConstantPotential.cpp 5.7 KB ​ 51e0e3   11 years FrederikHeber Added two filter functions to Extractors. - renamed …
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