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NonConvexEnvelope-heptan-1.5.dat@ b75386

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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

Last change on this file since b75386 was a85f45, checked in by Frederik Heber <heber@…>, 13 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: 1.4 KB

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[bdedb1]	1	TITLE = "3D CONVEX SHELL"
	2	VARIABLES = "X" "Y" "Z" "U"
[be97a8]	3	ZONE T="none", N=23, E=64, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
[bdb143]	4	-7.27e-07 -1.22006 0.930455 18.7229
	5	-7.27e-07 -1.22006 -0.849545 18.7229
	6	-1.2492 0.921941 0.930455 18.7227
	7	-1.2492 0.921941 -0.849545 18.7227
	8	1.2492 0.921941 -0.849545 18.7222
[be97a8]	9	1.2492 0.921941 0.930455 18.7222
[a8a010]	10	-2.4985 -1.22006 -0.849545 19.9769
[be97a8]	11	-2.4985 -1.22006 0.930455 19.9769
	12	2.4985 -1.22006 0.930455 27.4727
[a8a010]	13	2.4985 -1.22006 -0.849545 27.4727
[bdb143]	14	-4.6377 -0.336759 0.0404545 21.541
	15	-3.7477 0.921941 0.930455 18.8853
	16	-3.7477 0.921941 -0.849545 18.8853
	17	4.6377 -0.336759 0.0404545 10.6618
	18	3.7477 0.921941 -0.849545 18.5406
[be97a8]	19	3.7477 0.921941 0.930455 18.5406
[bdb143]	20	-7.27e-07 -0.590759 0.0404545 23.0174
	21	-1.2492 0.292641 0.0404545 23.0167
[be97a8]	22	1.2492 0.292641 0.0404545 23.0172
[a8a010]	23	-2.4985 -0.590759 0.0404545 21.8516
	24	2.4985 -0.590759 0.0404545 16.0669
[bdb143]	25	-3.7477 0.292641 0.0404545 39.5267
[be97a8]	26	3.7477 0.292641 0.0404545 20.5497
[bdedb1]	27
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[bdedb1]	86	7 8 20
	87	7 8 20
	88	8 11 20
[be97a8]	89	7 11 20
[a8a010]	90	2 17 20
	91	2 7 20

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