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
        Candidate_v1.7.0
        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
      
      
        
          | Last change
 on this file since 5ffa05 was             a85f45, checked in by Frederik Heber <heber@…>, 14 years ago | 
        
          | 
Rewrote tests/Tesselations with autotest test driver.
 this made the whole tests a lot easier (and working with distcheck hopefully, too).
 | 
        
          | 
              
Property                 mode
 set to                 100644 | 
        
          | File size:
            888 bytes | 
      
      
| Rev | Line |  | 
|---|
| [bdedb1] | 1 | TITLE = "3D CONVEX SHELL" | 
|---|
|  | 2 | VARIABLES = "X" "Y" "Z" "U" | 
|---|
|  | 3 | ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE | 
|---|
| [bdb143] | 4 | -7.27e-07 -1.22006 0.930455 -17.4952 | 
|---|
|  | 5 | -7.27e-07 -1.22006 -0.849545 -17.4952 | 
|---|
|  | 6 | -1.2492 0.921941 0.930455 -19.6818 | 
|---|
|  | 7 | -1.2492 0.921941 -0.849545 -15.323 | 
|---|
|  | 8 | 1.2492 0.921941 -0.849545 -17.495 | 
|---|
|  | 9 | 1.2492 0.921941 0.930455 -17.4951 | 
|---|
|  | 10 | -2.4985 -1.22006 -0.849545 -13.1263 | 
|---|
|  | 11 | -2.4985 -1.22006 0.930455 -10.8961 | 
|---|
|  | 12 | 2.4985 -1.22006 0.930455 -13.1263 | 
|---|
|  | 13 | 2.4985 -1.22006 -0.849545 -10.8961 | 
|---|
|  | 14 | -4.6377 -0.336759 0.0404545 -9.35471 | 
|---|
|  | 15 | -3.7477 0.921941 0.930455 -9.24444 | 
|---|
|  | 16 | -3.7477 0.921941 -0.849545 -11.4805 | 
|---|
|  | 17 | 4.6377 -0.336759 0.0404545 -9.35473 | 
|---|
|  | 18 | 3.7477 0.921941 -0.849545 -11.4805 | 
|---|
|  | 19 | 3.7477 0.921941 0.930455 -9.24445 | 
|---|
| [bdedb1] | 20 |  | 
|---|
|  | 21 | 14 15 16 | 
|---|
|  | 22 | 6 15 16 | 
|---|
|  | 23 | 5 6 15 | 
|---|
|  | 24 | 3 5 6 | 
|---|
|  | 25 | 3 4 5 | 
|---|
|  | 26 | 3 4 13 | 
|---|
|  | 27 | 3 12 13 | 
|---|
|  | 28 | 11 12 13 | 
|---|
| [bdb143] | 29 | 7 11 13 | 
|---|
|  | 30 | 4 7 13 | 
|---|
|  | 31 | 2 4 7 | 
|---|
|  | 32 | 2 4 5 | 
|---|
|  | 33 | 2 5 10 | 
|---|
|  | 34 | 5 10 15 | 
|---|
|  | 35 | 10 14 15 | 
|---|
| [bdedb1] | 36 | 9 10 14 | 
|---|
|  | 37 | 2 9 10 | 
|---|
|  | 38 | 1 2 9 | 
|---|
|  | 39 | 1 2 7 | 
|---|
|  | 40 | 1 7 8 | 
|---|
|  | 41 | 7 8 11 | 
|---|
| [bdb143] | 42 | 9 14 16 | 
|---|
|  | 43 | 6 9 16 | 
|---|
|  | 44 | 1 6 9 | 
|---|
|  | 45 | 1 3 6 | 
|---|
|  | 46 | 1 3 8 | 
|---|
|  | 47 | 3 8 12 | 
|---|
|  | 48 | 8 11 12 | 
|---|
       
      
  Note:
 See   
TracBrowser
 for help on using the repository browser.