source: tests/regression@ 693a80

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 c3a70d   13 years FrederikHeber Added time-step-zero option to dipole-angular-correlation. - this …
Atoms e611dc   13 years FrederikHeber FIX: AT_KEYWORDS requires _space_-separated list of keywords.
Domain 45f835   13 years FrederikHeber Added Undo/Redo capabilities to RepeatBoxAction. - adapted regression …
Filling c8b17b   13 years FrederikHeber DISTCHECKFIX: Added missing chmod u+w were appropriate. - This is …
Fragmentation 99b0dc   13 years FrederikHeber FragmentAction now has instead of path a types parameter. - new …
Graph c8b17b   13 years FrederikHeber DISTCHECKFIX: Added missing chmod u+w were appropriate. - This is …
Molecules e611dc   13 years FrederikHeber FIX: AT_KEYWORDS requires _space_-separated list of keywords.
Options b1ac7a   13 years FrederikHeber Added Undo/Redo capabilities to BondLengthTableAction. - thanks to …
Parser 13510b   13 years FrederikHeber Added regression test for setting Psi3Parser parameter reference.
Python 693a80   13 years FrederikHeber Added pyMoleCuilder as python module with single exported function …
RandomNumbers e611dc   13 years FrederikHeber FIX: AT_KEYWORDS requires _space_-separated list of keywords.
Selection 93d78e8   13 years FrederikHeber TEST: Added missing atom keyword to regression tests on selection of …
Tesselation e611dc   13 years FrederikHeber FIX: AT_KEYWORDS requires _space_-separated list of keywords.
atlocal.in 109 bytes ​ 490038   14 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
Makefile.am 12.0 KB ​ 693a80   13 years FrederikHeber Added pyMoleCuilder as python module with single exported function …
molecuilder.in 514 bytes ​ e85333   13 years FrederikHeber DISTCHECKFIX: AUTOTEST_PATH is now used as path to moleculder in …
testsuite.at 1.2 KB ​ 715085   13 years FrederikHeber Simple boost::python test program added. - we have a function greet() …
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