source: tests/Fragmentations/Analyzing/heptan/post/plots@ 07a47e

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
../
DeltaEnergies-Order.dat 275 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
DeltaEnergies-Order.pyx 304 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
DeltaForces-Order.dat 10.3 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
DeltaMaxForces-Order.dat 629 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
DeltaMaxForces-Order.pyx 338 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
DeltaMeanForces-Order.dat 623 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
DeltaMeanForces-Order.pyx 323 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
DeltaMinForces-Order.dat 629 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
DeltaMinForces-Order.pyx 338 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
DeltaMinMeanMaxTotalForce-Order.pyx 534 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
DeltaSimTime-Order.dat 1.7 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
Energies-Fragment.dat 800 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
Energies-Fragment.pyx 302 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
Energies-FragmentOrder.dat 812 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
Energies-FragmentOrder.pyx 306 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
Energies-Order.dat 243 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
Energies-Order.pyx 333 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
energy-forces.all 3.6 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
Forces-Order.dat 12.6 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
Makefile 140 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MaxEnergies-FragmentOrder.dat 239 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MaxEnergies-FragmentOrder.pyx 315 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MaxForces-Fragment.dat 2.5 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MaxForces-Fragment.pyx 374 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MaxForces-FragmentOrder.dat 2.5 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MaxForces-FragmentOrder.pyx 378 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MaxForces-Order.dat 597 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MaxForces-Order.pyx 324 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MeanForces-Fragment.dat 2.5 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MeanForces-Fragment.pyx 347 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MeanForces-FragmentOrder.dat 2.5 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MeanForces-FragmentOrder.pyx 351 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MeanForces-Order.dat 593 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MeanForces-Order.pyx 309 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MinEnergies-FragmentOrder.dat 239 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MinEnergies-FragmentOrder.pyx 315 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MinForces-Fragment.dat 2.5 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MinForces-Fragment.pyx 374 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MinForces-FragmentOrder.dat 2.5 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MinForces-FragmentOrder.pyx 378 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MinForces-Order.dat 597 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MinForces-Order.pyx 324 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
MinMeanMaxTotalForce-Order.pyx 504 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
SimTime-Order.dat 1.7 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
SimTime-Order.pyx 1.8 KB ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
VectorSum-Order.dat 609 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
VectorSum-Order.pyx 326 bytes ​ 878044   13 years FrederikHeber Added (simple) regression tests for joiner and analyzer for heptan. - …
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