source: src/Descriptors/unittests@ d6d2129

Action_Thermostats Add_AtomRandomPerturbation Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 Candidate_v1.7.1 ChangeBugEmailaddress ChemicalSpaceEvaluator EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide 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 GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps stable
Name Size Rev Age Author Last Change
../
MoleculeDescriptorUnitTest.hpp 1.0 KB ​ 12c4cb   15 years FrederikHeber FIX: MoleculeOrderDescriptor was not working correctly. - added …
MoleculeDescriptorUnitTest.cpp 8.7 KB ​ 1259df   11 years FrederikHeber Replaced World::getAllMolecules() wherever possible by const version.
Makefile.am 1.3 KB ​ cb98f1   10 years FrederikHeber FIX: One Definition Rule violation by mpqc. - mpqc.cc implements …
AtomDescriptorUnitTest.hpp 1.1 KB ​ 61c364   15 years FrederikHeber Added AtomOrderDescription along with SelectionAtomByOrder. - added …
AtomDescriptorUnitTest.cpp 12.8 KB ​ a58c16   11 years FrederikHeber Replaced World::getAllAtoms() by const version where possible.
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