source: tests/regression@ 3f6aac

Action_Thermostats Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator EmpiricalPotential_contain_HomologyGraph_documentation Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_oldresults ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Name Size Rev Age Author Last Change
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WorldTime 137845   8 years frederik.heber StepWorldTime now has a single argument. - this was not possible due …
Tesselation c66ae6   9 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
Selection 3f6aac   7 years frederik.heber Added (Un)selectAtomByName. - Descriptor for AtomByName was already …
RandomNumbers 62c378a   10 years FrederikHeber FIX: Made checks in random number engine and distribution regression …
Potential f45a91   8 years FrederikHeber TESTFIX: Redid all homology containers for potential fitting …
Parser 3fb9ab   8 years FrederikHeber FIX: Preventing MPQC from using old temp files for restart. - …
Options f79d65   8 years frederik.heber Vector(s) are now stored as strings in Querys intermediately. - they …
Molecules 7294dc   8 years frederik.heber FIX: Fixing the use of the trajectories that were changed to maps. - …
Graph c56922   9 years FrederikHeber TESTFIX: regression test DepthFirstSearch had extra linebreak.
Geometry 836972   8 years frederik.heber Added GeometryRemoveAction. - TESTS: Also added regression test.
Fragmentation 557b39   8 years frederik.heber boost::serialization changed text output format. - needed to write …
Filling 2fe4a5   9 years FrederikHeber TESTFIX: Changed all parse-tremolo-potential calls to …
Domain 2fe4a5   9 years FrederikHeber TESTFIX: Changed all parse-tremolo-potential calls to …
Bond 2d1280   8 years FrederikHeber Added BondSetDegreeAction for manipulating bond degrees.
Atoms 310445   8 years frederik.heber Added RandomPerturbationAction. - this should be when doing …
Analysis 7294dc   8 years frederik.heber FIX: Fixing the use of the trajectories that were changed to maps. - …
trianglematcher.in 581 bytes ​ 2edf77   9 years FrederikHeber DISTFIX: Added AdjacencyMatcher and TriangleMatcher noinst targets. - …
testsuite.at 2.2 KB ​ 467b2b   8 years frederik.heber Added regression test for all four geometry Actions and common …
runpython.in 1.0 KB ​ 7672284   8 years FrederikHeber FIX: install target now works with multiple threads. - the problem …
molecuilder.in 514 bytes ​ e85333   13 years FrederikHeber DISTCHECKFIX: AUTOTEST_PATH is now used as path to moleculder in …
Makefile.am 19.2 KB ​ 3f6aac   7 years frederik.heber Added (Un)selectAtomByName. - Descriptor for AtomByName was already …
difffragmentresultcontainer.in 587 bytes ​ 557b39   8 years frederik.heber boost::serialization changed text output format. - needed to write …
DiffFragmentResultContainer.cpp 3.4 KB ​ 557b39   8 years frederik.heber boost::serialization changed text output format. - needed to write …
atlocal.in 109 bytes ​ 490038   14 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
adjacencymatcher.in 572 bytes ​ 2edf77   9 years FrederikHeber DISTFIX: Added AdjacencyMatcher and TriangleMatcher noinst targets. - …
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