source: tests/regression@ ce70d25

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator 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_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions 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 GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
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Analysis 16c7dd   10 years FrederikHeber Removed FillVoidWithMolecule and FillWithMolecule actions. - these …
Atoms ceaab1   9 years FrederikHeber AddAtom now adds a molecule (atom always associated with a molecule). …
Bond c66ae6   9 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
Domain 2fe4a5   9 years FrederikHeber TESTFIX: Changed all parse-tremolo-potential calls to …
Filling 2fe4a5   9 years FrederikHeber TESTFIX: Changed all parse-tremolo-potential calls to …
Fragmentation ce70d25   8 years FrederikHeber Added some asserts and checks in context of SaturatedFragment and …
Graph c56922   9 years FrederikHeber TESTFIX: regression test DepthFirstSearch had extra linebreak.
Molecules 2fe4a5   9 years FrederikHeber TESTFIX: Changed all parse-tremolo-potential calls to …
Options f3db60   10 years FrederikHeber Added DryRun and NoDryRun actions. - actions (un)set a flag inside …
Parser 30e5dc   9 years FrederikHeber Removed ParseTremoloPotentialsAction. - TESTFIX: removed regression …
Potential 87662aa   9 years FrederikHeber TESTFIX: regression test fit-partial-charges needs to contains …
RandomNumbers 62c378a   10 years FrederikHeber FIX: Made checks in random number engine and distribution regression …
Selection d72064   9 years FrederikHeber TESTS: Trimmed down PopMoleculesSelection regression test. - this …
Tesselation c66ae6   9 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
adjacencymatcher.in 572 bytes ​ 2edf77   9 years FrederikHeber DISTFIX: Added AdjacencyMatcher and TriangleMatcher noinst targets. - …
atlocal.in 109 bytes ​ 490038   14 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
Makefile.am 17.0 KB ​ 30e5dc   9 years FrederikHeber Removed ParseTremoloPotentialsAction. - TESTFIX: removed regression …
molecuilder.in 514 bytes ​ e85333   13 years FrederikHeber DISTCHECKFIX: AUTOTEST_PATH is now used as path to moleculder in …
runpython.in 1.0 KB ​ 893426   11 years FrederikHeber Split regression test testsuite-options-store-session in two files. - …
testsuite.at 2.1 KB ​ f5724f   11 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
trianglematcher.in 581 bytes ​ 2edf77   9 years FrederikHeber DISTFIX: Added AdjacencyMatcher and TriangleMatcher noinst targets. - …
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