source: tests/Fragmentations@ ad28ef

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
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tartaric_acid 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
putrescine 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
proline 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
neohexane 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
N_N-dimethylacetamide 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
isoleucine 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
heptan 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
glucose 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
dimethyl_bromomalonate 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
cycloheptane 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
cholesterol 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
benzene 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
2-methylcyclohexanone 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
1_2-dimethylbenzene 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
1_2-dimethoxyethane 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
tartaric_acid.test 426 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
putrescine.test 425 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
proline.test 425 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
neohexane.test 425 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
N_N-dimethylacetamide.test 425 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
Makefile.am 353 bytes ​ 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
isoleucine.test 425 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
heptan.test 391 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
glucose.test 427 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
dimethyl_bromomalonate.test 424 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
defs.in 1.9 KB ​ 038713   14 years FrederikHeber Added Fragmentations test in the spirit of the Tesselations test. - …
cycloheptane.test 425 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
cholesterol.test 394 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
benzene.test 425 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
2-methylcyclohexanone.test 391 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
1_2-dimethylbenzene.test 391 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
1_2-dimethoxyethane.test 391 bytes ​ 15f6e9   14 years FrederikHeber Extended Fragmentations tests by check for number of fragments per …
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