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ConvexEnvelope.dat@ bf6245

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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 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 bf6245 was 565695, checked in by Frederik Heber <heber@…>, 11 years ago
TESTFIX: Regression test Tesselation/BigConvex is now working.
Property mode set to `100644`
File size: 1.5 KB

Rev	Line
[565695]	1	TITLE = "3D CONVEX SHELL"
	2	VARIABLES = "X" "Y" "Z" "U"
	3	ZONE T="test", N=30, E=56, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
	4	6.9077 1.1106 0.1214 -5.23177
	5	0.3612 -3.628 1.323 -11.4185
	6	0.4884 -3.5983 -0.4521 -7.03826
	7	-1.9534 -3.5752 0.5362 -0.173276
	8	-0.7165 -1.6046 2.5129 -10.1039
	9	-1.003 -1.3584 -2.8848 -11.2346
	10	0.0217 -2.6629 -2.2008 -5.96359
	11	-2.0579 -3.6765 -1.7622 -12.1384
	12	1.0353 0.1785 2.542 -3.69678
	13	1.3374 -0.2942 -2.961 -11.1544
	14	-5.1809 -1.8679 0.9687 -11.1098
	15	-4.6025 -2.4721 -0.6025 -7.60281
	16	-4.3385 -3.4329 0.8725 -10.5544
	17	3.191 1.3217 -2.8354 -20.8003
	18	2.8131 1.4776 2.5103 -10.611
	19	3.9137 2.2936 1.3739 -5.9557
	20	3.6606 -0.4593 2.1396 -5.62157
	21	5.2593 1.4547 -1.7445 -7.42134
	22	4.6863 2.7674 -0.6775 -12.9954
	23	5.746 -0.9031 1.204 -12.0532
	24	5.1212 -0.8867 -0.4582 -8.19516
	25	-5.2641 2.8314 1.4476 -13.2481
	26	5.2727 1.6068 1.2828 -2.8594
	27	-6.2394 4.6427 0.0632 -18.9229
	28	-4.4738 4.5591 -0.1458 -12.2366
	29	-5.5506 3.8964 -1.3985 -26.636
	30	-6.7081 0.9923 0.6224 -0.0590541
	31	-7.5442 2.5597 0.5118 -14.7458
	32	-6.8554 1.8134 -0.9499 -16.7084
	33	7.1391 2.0447 0.0264 -14.9095
	34
	35	1 18 30
	36	1 18 21
	37	1 20 21
	38	10 14 18
	39	10 18 21
	40	7 10 21
	41	2 5 17
	42	5 9 15
	43	15 17 20
	44	15 20 23
	45	20 23 30
	46	1 20 30
	47	15 16 23
	48	16 23 30
	49	16 25 30
	50	9 15 22
	51	5 9 22
	52	11 27 28
	53	11 22 28
	54	5 11 13
	55	2 5 13
	56	2 4 13
	57	15 22 24
	58	22 24 28
	59	3 7 8
	60	2 3 8
	61	2 4 8
	62	4 8 13
	63	8 12 13
	64	6 7 8
	65	6 7 10
	66	8 12 29
	67	19 25 26
	68	19 25 30
	69	14 19 26
	70	12 13 28
	71	11 13 27
	72	13 27 28
	73	12 28 29
	74	14 18 19
	75	18 19 30
	76	24 25 26
	77	26 28 29
	78	24 26 28
	79	2 3 20
	80	3 20 21
	81	3 7 21
	82	16 24 25
	83	2 17 20
	84	6 10 26
	85	10 14 26
	86	6 26 29
	87	5 15 17
	88	15 16 24
	89	5 11 22
	90	6 8 29

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