source: tests/regression@ 6c61a9

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 e611dc   14 years FrederikHeber FIX: AT_KEYWORDS requires _space_-separated list of keywords.
Selection 93d78e8   14 years FrederikHeber TEST: Added missing atom keyword to regression tests on selection of …
RandomNumbers e611dc   14 years FrederikHeber FIX: AT_KEYWORDS requires _space_-separated list of keywords.
Python 6c61a9   14 years FrederikHeber Added regression test for boxmaker.py.
Parser 13510b   14 years FrederikHeber Added regression test for setting Psi3Parser parameter reference.
Options b1ac7a   14 years FrederikHeber Added Undo/Redo capabilities to BondLengthTableAction. - thanks to …
Molecules e611dc   14 years FrederikHeber FIX: AT_KEYWORDS requires _space_-separated list of keywords.
Graph c8b17b   14 years FrederikHeber DISTCHECKFIX: Added missing chmod u+w were appropriate. - This is …
Fragmentation 99b0dc   14 years FrederikHeber FragmentAction now has instead of path a types parameter. - new …
Filling c8b17b   14 years FrederikHeber DISTCHECKFIX: Added missing chmod u+w were appropriate. - This is …
Domain 9d613f   14 years FrederikHeber FIX: RepeatBoxAction did not use CopyMolecule() but copied by hand. …
Atoms e611dc   14 years FrederikHeber FIX: AT_KEYWORDS requires _space_-separated list of keywords.
Analysis 54088a   14 years FrederikHeber Added first Reaction named CalculateCellVolumeAction. - this sets the …
testsuite.at 1.2 KB ​ 715085   14 years FrederikHeber Simple boost::python test program added. - we have a function greet() …
molecuilder.in 514 bytes ​ e85333   14 years FrederikHeber DISTCHECKFIX: AUTOTEST_PATH is now used as path to moleculder in …
Makefile.am 12.2 KB ​ 6c61a9   14 years FrederikHeber Added regression test for boxmaker.py.
atlocal.in 109 bytes ​ 490038   15 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
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