source: tests/regression@ b6af88

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 v1.5.2
Name Size Rev Age Author Last Change
../
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 f73351   12 years FrederikHeber FIX: Some Thermostats would cause NaN on zero temperature. - …
Filling df0c80   9 years FrederikHeber FIX: Filling actions did not use minimum distance for tesselated …
Fragmentation 835b53   9 years FrederikHeber TESTFIX: Needed to check whether long-range capability is compiled in. …
Graph c56922   9 years FrederikHeber TESTFIX: regression test DepthFirstSearch had extra linebreak.
Molecules 7daf73   9 years FrederikHeber LinkedCell's LinkedList is now a vector and no longer a set. - this …
Options f3db60   10 years FrederikHeber Added DryRun and NoDryRun actions. - actions (un)set a flag inside …
Parser e3c4c5   9 years FrederikHeber MpqcParser additionally allows to save optimization jobs. - this is …
Potential 50d49d   9 years FrederikHeber FIX: Renamed FitParticleCharges -> FitPartialCharges. - fitting …
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 16.9 KB ​ b9d387   9 years FrederikHeber Added regression test for fill-regular-grid that with minimum …
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. - …
  • Property mode set to 040000
Note: See TracBrowser for help on using the repository browser.