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NonConvexEnvelope.dat@ afa9d8

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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 afa9d8 was afa9d8, checked in by Frederik Heber <heber@…>, 13 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

Line
1	TITLE = "3D CONVEX SHELL"
2	VARIABLES = "X" "Y" "Z" "U"
3	ZONE T="test", N=44, E=86, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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
47	6.9077 1.1106 0.1214 -6.99715
48
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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