source: tests/Tesselations@ 4fb5a3

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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1_2-dimethoxyethane 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
1_2-dimethylbenzene 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
2-methylcyclohexanone 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
benzene 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
C16_0-Torus 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
cholesterol 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
cluster 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
cycloheptane 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
dimethyl_bromomalonate 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
glucose 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
heptan 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
isoleucine 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
N_N-dimethylacetamide 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
neohexane 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
proline 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
putrescine 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
round_cluster 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
tartaric_acid 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
1_2-dimethoxyethane.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
1_2-dimethylbenzene.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
2-methylcyclohexanone.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
benzene.test 90 bytes ​ 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
C16_0-Torus.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
cholesterol.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
cluster.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
cycloheptane.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
defs.in 1.8 KB ​ 685100   15 years FrederikHeber BUGFIX: Tesselation test failed for all molecules on very first run in …
dimethyl_bromomalonate.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
glucose.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
heptan.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
isoleucine.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
Makefile.am 391 bytes ​ 6a7f78c   15 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
N_N-dimethylacetamide.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
neohexane.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
proline.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
putrescine.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
round_cluster.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
tartaric_acid.test 90 bytes ​ 36eb4e   15 years FrederikHeber Added Tesselation testsets as TESTS to molecuilder. - defs.in with …
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