- Timestamp:
- Jul 20, 2010, 1:01:11 PM (15 years ago)
- Branches:
- 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
- Children:
- 3d078d, 4b6777, c644a5
- Parents:
- ba9f5b (diff), 818eda (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the(diff)links above to see all the changes relative to each parent. - File:
-
- 1 edited
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- Added
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tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat
rba9f5b rbe97a8 1 1 TITLE = "3D CONVEX SHELL" 2 2 VARIABLES = "X" "Y" "Z" "U" 3 ZONE T=" heptan", N=23, E=64, DATAPACKING=POINT, ZONETYPE=FETRIANGLE3 ZONE T="none", N=23, E=64, DATAPACKING=POINT, ZONETYPE=FETRIANGLE 4 4 -7.27e-07 -1.22006 0.930455 18.7229 5 5 -7.27e-07 -1.22006 -0.849545 18.7229 … … 7 7 -1.2492 0.921941 -0.849545 18.7227 8 8 1.2492 0.921941 -0.849545 18.7222 9 1.2492 0.921941 0.930455 27.064110 -2.4985 -1.22006 -0.849545 19.976911 -2.4985 -1.22006 0.930455 27.472712 2.4985 -1.22006 0.930455 19.976913 2.4985 -1.22006 -0.849545 27.47279 1.2492 0.921941 0.930455 18.7222 10 -2.4985 -1.22006 -0.849545 27.4727 11 -2.4985 -1.22006 0.930455 19.9769 12 2.4985 -1.22006 0.930455 27.4727 13 2.4985 -1.22006 -0.849545 19.9769 14 14 -4.6377 -0.336759 0.0404545 21.541 15 15 -3.7477 0.921941 0.930455 18.8853 … … 17 17 4.6377 -0.336759 0.0404545 10.6618 18 18 3.7477 0.921941 -0.849545 18.5406 19 3.7477 0.921941 0.930455 1 2.198819 3.7477 0.921941 0.930455 18.5406 20 20 -7.27e-07 -0.590759 0.0404545 23.0174 21 21 -1.2492 0.292641 0.0404545 23.0167 22 1.2492 0.292641 0.0404545 2 0.163222 1.2492 0.292641 0.0404545 23.0172 23 23 -2.4985 -0.590759 0.0404545 18.9798 24 24 2.4985 -0.590759 0.0404545 18.9798 25 25 -3.7477 0.292641 0.0404545 39.5267 26 3.7477 0.292641 0.0404545 2 3.251226 3.7477 0.292641 0.0404545 20.5497 27 27 28 28 14 15 23 … … 34 34 15 19 23 35 35 5 15 19 36 16 19 23 37 6 16 19 36 38 5 6 19 37 39 5 6 19 … … 42 44 3 4 18 43 45 3 4 18 46 3 18 22 47 3 12 22 44 48 4 18 22 45 49 4 13 22 46 3 18 2247 3 12 2248 50 12 13 22 49 51 12 13 22 50 6 19 23 51 6 16 23 52 11 12 22 53 11 12 22 54 8 11 22 55 8 12 22 52 56 11 13 22 53 57 11 13 22 54 58 7 11 22 55 59 7 13 22 56 11 12 2257 11 12 2258 8 11 2259 8 12 2260 60 14 16 23 61 61 14 16 23 … … 76 76 9 10 21 77 77 9 14 21 78 1017 2179 2 101778 9 17 21 79 1 9 17 80 80 1 2 17 81 81 1 2 17 82 117 2183 1 92184 217 2085 2 72082 2 17 21 83 2 10 21 84 1 17 20 85 1 8 20 86 86 7 8 20 87 87 7 8 20 88 8 11 20 88 89 7 11 20 89 8 11 20 90 8 17 20 91 1 8 17 90 7 17 20 91 2 7 17
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