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NonConvexEnvelope.dat@ 402f2c

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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 402f2c was afa9d8, checked in by Frederik Heber <heber@…>, 14 years ago

TESTFIX: Fixed regression tests Molecules/BondFile and Tesselation/BigNonConvex again.

Molecules/BondFile: replaced result file with new one as the only difference are interchanged ids (and the new ones are more sensible anyway).
Tesselation/BigNonConvex: same here for the same reason.
removed XFAILs from both.

Property mode set to 100644

File size: 2.1 KB

Rev	Line
[ebcade]	1	TITLE = "3D CONVEX SHELL"
	2	VARIABLES = "X" "Y" "Z" "U"
[482373]	3	ZONE T="test", N=44, E=86, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
[bdb143]	4	0.3612 -3.628 1.323 6.00416
	5	0.4884 -3.5983 -0.4521 11.8428
	6	1.4985 -2.5112 0.5308 6.07951
	7	-1.9534 -3.5752 0.5362 -4.26914
	8	-1.1883 -0.199 1.5176 14.2992
	9	-0.7165 -1.6046 2.5129 6.2134
	10	1.7627 -1.4479 -0.8349 7.15053
	11	-1.003 -1.3584 -2.8848 32.043
	12	0.0217 -2.6629 -2.2008 16.8009
	13	-2.8885 -1.5706 1.7543 -1.77076
	14	-2.0579 -3.6765 -1.7622 -7.05319
	15	-2.9259 -2.1146 -1.7672 33.6663
	16	1.0353 0.1785 2.542 48.8869
	17	1.6325 -1.3323 1.8306 1.44108
	18	0.7271 1.177 0.3594 27.9872
	19	1.3374 -0.2942 -2.961 13.6459
	20	0.6036 1.0859 -2.1126 98.521
	21	-3.2034 -0.5041 -1.0881 8.44805
	22	-5.1809 -1.8679 0.9687 -6.07448
	23	-4.6025 -2.4721 -0.6025 -6.52057
	24	-4.3385 -3.4329 0.8725 -4.12716
	25	3.191 1.3217 -2.8354 -10.5968
	26	-4.0905 0.6312 1.6028 21.8745
	27	2.8131 1.4776 2.5103 -0.774194
	28	3.9137 2.2936 1.3739 -2.51806
	29	2.159 2.5738 1.2698 151.494
	30	3.6606 -0.4593 2.1396 2.60004
	31	3.2007 -1.4419 0.7311 2.29272
	32	-3.3002 2.3589 0.0094 461.065
	33	-4.377 1.6962 -1.2433 43.4649
	34	5.2593 1.4547 -1.7445 -6.26082
	35	4.6863 2.7674 -0.6775 -8.55931
	36	5.746 -0.9031 1.204 -1.29544
	37	5.1212 -0.8867 -0.4582 31.5177
	38	-5.2641 2.8314 1.4476 21.5516
	39	5.2727 1.6068 1.2828 -2.57271
	40	-6.2394 4.6427 0.0632 -9.24392
	41	-4.4738 4.5591 -0.1458 62.5211
	42	-5.5506 3.8964 -1.3985 -10.3613
	43	-6.7081 0.9923 0.6224 -7.08885
	44	-7.5442 2.5597 0.5118 -11.4252
	45	-6.8554 1.8134 -0.9499 3.80444
	46	7.1391 2.0447 0.0264 -7.88713
[afa9d8]	47	6.9077 1.1106 0.1214 -6.99715
[ebcade]	48
[afa9d8]	49	31 43 44
	50	31 34 44
	51	33 34 44
	52	22 31 34
	53	16 22 34
	54	7 16 34
	55	7 9 16
	56	2 7 9
	57	2 7 34
	58	2 3 34
	59	3 28 34
	60	28 33 34
	61	1 2 3
	62	1 3 28
	63	1 14 28
	64	14 27 28
	65	27 28 33
	66	1 6 14
	67	6 13 14
	68	13 14 27
	69	13 24 27
	70	24 27 36
	71	27 33 36
	72	33 36 44
	73	36 43 44
	74	24 25 36
	75	24 25 26
	76	25 26 32
	77	25 32 43
	78	25 36 43
	79	13 24 26
	80	13 26 29
	81	5 13 29
	82	5 23 29
	83	23 29 35
	84	29 35 38
	85	26 29 38
	86	26 29 38
	87	15 26 29
	88	15 17 29
	89	15 17 26
	90	17 26 32
	91	17 22 32
	92	5 6 23
	93	5 6 13
	94	6 10 23
	95	10 19 23
	96	19 23 40
	97	23 35 40
	98	35 40 41
	99	10 19 21
	100	4 10 21
	101	4 6 10
	102	1 4 6
	103	35 37 38
	104	35 37 41
	105	17 29 30
	106	29 30 38
	107	30 38 39
	108	8 17 30
	109	8 16 17
	110	16 17 22
	111	8 18 30
	112	8 12 18
	113	12 18 30
	114	12 20 30
	115	20 30 42
	116	30 39 42
	117	8 11 12
	118	8 9 11
	119	8 9 16
	120	11 12 20
	121	11 20 21
	122	4 11 21
	123	2 4 11
	124	1 2 4
	125	2 9 11
	126	19 20 21
	127	19 20 40
	128	20 40 42
	129	40 41 42
	130	22 31 32
	131	31 32 43
	132	39 41 42
	133	37 39 41
	134	37 38 39

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