Context Navigation

ConvexEnvelope.dat@ 33ee99

Visit:

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 33ee99 was 565695, checked in by Frederik Heber <heber@…>, 10 years ago
TESTFIX: Regression test Tesselation/BigConvex is now working.
Property mode set to `100644`
File size: 1.5 KB

Line
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

Note: See TracBrowser for help on using the repository browser.

Download in other formats:

Original Format