source: tests/regression@ 98a8b4

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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Tesselation 15b670   15 years FrederikHeber Testfixes for Tesselations/1-3 and bugfixes for …
Simple_configuration 9b7db1   15 years FrederikHeber Added case '-R' (removing atoms outside of sphere) to testsuite. - …
Molecules acf800   15 years FrederikHeber TESTFIX: Wrong (old) ordering of conf files (IonTyp2 before IonType1) …
Graph 046a1e   15 years FrederikHeber Added case '-I' (subgraph dissection) to testsuite. - constructed …
Fragmentation ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
Filling e0aee2b   15 years FrederikHeber Bugfix of FillBoxWithMolecule() and Testfix of Filling/1 - BUGFIX: …
Domain 1b9321   15 years FrederikHeber Added missing test.conf.xyz for Domain/6. Signed-off-by: Frederik …
Analysis 98a8b4   15 years FrederikHeber TESTFIX: Analysis/... no more diff of output.csv (nameing dependent) …
testsuite.at 716 bytes ​ 8c574b   15 years FrederikHeber Split up testsuite into several at-scripts. - the testsuite has grown …
testsuite-tesselation.at 2.6 KB ​ 8c574b   15 years FrederikHeber Split up testsuite into several at-scripts. - the testsuite has grown …
testsuite-standard_options.at 2.3 KB ​ 8c574b   15 years FrederikHeber Split up testsuite into several at-scripts. - the testsuite has grown …
testsuite-specifics.at 310 bytes ​ 8c574b   15 years FrederikHeber Split up testsuite into several at-scripts. - the testsuite has grown …
testsuite-simple_configuration.at 6.4 KB ​ 42af9e   15 years FrederikHeber MEMFIXES: no more default saving/loading of element's db, …
testsuite-molecules.at 3.4 KB ​ 8c574b   15 years FrederikHeber Split up testsuite into several at-scripts. - the testsuite has grown …
testsuite-graph.at 745 bytes ​ 8c574b   15 years FrederikHeber Split up testsuite into several at-scripts. - the testsuite has grown …
testsuite-fragmentation.at 1.3 KB ​ 0de7e8   15 years FrederikHeber FIX: Test Fragmentation is at MaxOrder was broken. - BUGFIX: …
testsuite-filling.at 1.1 KB ​ 8c574b   15 years FrederikHeber Split up testsuite into several at-scripts. - the testsuite has grown …
testsuite-domain.at 4.3 KB ​ 8c574b   15 years FrederikHeber Split up testsuite into several at-scripts. - the testsuite has grown …
testsuite-analysis.at 3.8 KB ​ 98a8b4   15 years FrederikHeber TESTFIX: Analysis/... no more diff of output.csv (nameing dependent) …
molecuilder.in 140 bytes ​ b2b47f   15 years FrederikHeber Shifted regression testsuite into folder regression. This is to allow …
Makefile.am 1.1 KB ​ 5ddb8a   15 years FrederikHeber Added out-sourced testsuite files to Makefile.am such that they are …
atlocal.in 77 bytes ​ b2b47f   15 years FrederikHeber Shifted regression testsuite into folder regression. This is to allow …
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