source: tests/regression@ 725a1d

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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Analysis 16c7dd   10 years FrederikHeber Removed FillVoidWithMolecule and FillWithMolecule actions. - these …
Atoms 2fcef3   10 years FrederikHeber Added SaturateAction that uses SphericalPointDistribution. - added …
Bond c66ae6   9 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
Domain f73351   12 years FrederikHeber FIX: Some Thermostats would cause NaN on zero temperature. - …
Filling 2440ce   10 years FrederikHeber FIX: Changed SuspendInMoleculeAction to catch segfault when rho=1 was …
Fragmentation 561b94   9 years FrederikHeber FIX: tests/regression FragmentationAutomation had a white space after …
Graph c56922   9 years FrederikHeber TESTFIX: regression test DepthFirstSearch had extra linebreak.
Molecules c66ae6   9 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
Options f3db60   10 years FrederikHeber Added DryRun and NoDryRun actions. - actions (un)set a flag inside …
Parser 7774f7   10 years FrederikHeber FIX: parser-parameters in regression tests basis and maxiter contained …
Potential c0db90   10 years FrederikHeber FIX: We must use --help directly instead of --actionname in checking …
RandomNumbers 62c378a   10 years FrederikHeber FIX: Made checks in random number engine and distribution regression …
Selection f7054c   9 years FrederikHeber TESTFIX: selection molecule by name had escaped ticks. - also changed …
Tesselation c66ae6   9 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
adjacencymatcher.in 572 bytes ​ 3532b7   9 years FrederikHeber DISTFIX: adjacencymatcher and trianglematcher are check_PROGRAMS, not …
atlocal.in 109 bytes ​ 490038   14 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
Makefile.am 16.8 KB ​ 3532b7   9 years FrederikHeber DISTFIX: adjacencymatcher and trianglematcher are check_PROGRAMS, not …
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 ​ 3532b7   9 years FrederikHeber DISTFIX: adjacencymatcher and trianglematcher are check_PROGRAMS, not …
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