source: tests/regression/Fragmentation/3/pre@ ebcade

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
../
BondFragment0.conf 3.8 KB ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragment0.conf.xyz 187 bytes ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragment1.conf 3.8 KB ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragment1.conf.xyz 189 bytes ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragment2.conf 3.8 KB ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragment2.conf.xyz 189 bytes ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragment3.conf 4.0 KB ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragment3.conf.xyz 269 bytes ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragment4.conf 4.0 KB ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragment4.conf.xyz 270 bytes ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragmentAdjacency.dat 75 bytes ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragmentForces-Factors.dat 75 bytes ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragmentKeySets.dat 14 bytes ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragmentOrderAtSite.dat 67 bytes ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
BondFragmentTE-Factors.dat 10 bytes ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
test.conf 4.1 KB ​ ebcade   15 years FrederikHeber Extended the testsuite to encompass the vital areas of molecuilder. - …
  • Property mode set to 040000
Note: See TracBrowser for help on using the repository browser.