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ConvexEnvelope.r3d@ 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: 8.8 KB

Rev	Line
[565695]	1	# Raster3D object description, created by MoleCuilder
	2	@header.r3d
	3	# All atoms as spheres
	4	2
	5	0.777562 -3.65286 1.28459 0.1 1. 1. 1.
	6	2
	7	0.904762 -3.62316 -0.490507 0.1 1. 1. 1.
	8	2
	9	1.91486 -2.53606 0.492393 0.1 1. 1. 1.
	10	2
	11	-0.587138 -0.162455 -0.830407 0.1 1. 1. 1.
	12	2
	13	-1.53704 -3.60006 0.497793 0.1 1. 1. 1.
	14	2
	15	-0.771938 -0.223855 1.47919 0.1 1. 1. 1.
	16	2
	17	-0.300138 -1.62946 2.47449 0.1 1. 1. 1.
	18	2
	19	2.17906 -1.47276 -0.873307 0.1 1. 1. 1.
	20	2
	21	-0.586638 -1.38326 -2.92321 0.1 1. 1. 1.
	22	2
	23	0.438062 -2.68776 -2.23921 0.1 1. 1. 1.
	24	2
	25	-2.47214 -1.59546 1.71589 0.1 1. 1. 1.
	26	2
	27	-1.64154 -3.70136 -1.80061 0.1 1. 1. 1.
	28	2
	29	-2.50954 -2.13946 -1.80561 0.1 1. 1. 1.
	30	2
	31	1.45166 0.153645 2.50359 0.1 1. 1. 1.
	32	2
	33	2.04886 -1.35716 1.79219 0.1 1. 1. 1.
	34	2
	35	1.14346 1.15214 0.320993 0.1 1. 1. 1.
	36	2
	37	1.75376 -0.319055 -2.99941 0.1 1. 1. 1.
	38	2
	39	1.01996 1.06104 -2.15101 0.1 1. 1. 1.
	40	2
	41	-1.71014 0.133845 0.126293 0.1 1. 1. 1.
	42	2
	43	-2.78704 -0.528955 -1.12651 0.1 1. 1. 1.
	44	2
	45	-4.76454 -1.89276 0.930293 0.1 1. 1. 1.
	46	2
	47	-4.18614 -2.49696 -0.640907 0.1 1. 1. 1.
	48	2
	49	-3.92214 -3.45776 0.834093 0.1 1. 1. 1.
	50	2
	51	3.60736 1.29684 -2.87381 0.1 1. 1. 1.
	52	2
	53	-4.75094 -0.0564554 0.311693 0.1 1. 1. 1.
	54	2
	55	-3.67414 0.606345 1.56439 0.1 1. 1. 1.
	56	2
	57	3.22946 1.45274 2.47189 0.1 1. 1. 1.
	58	2
	59	4.33006 2.26874 1.33549 0.1 1. 1. 1.
	60	2
	61	2.57536 2.54894 1.23139 0.1 1. 1. 1.
	62	2
	63	4.07696 -0.484155 2.10119 0.1 1. 1. 1.
	64	2
	65	3.61706 -1.46676 0.692693 0.1 1. 1. 1.
	66	2
	67	-2.88384 2.33404 -0.0290068 0.1 1. 1. 1.
	68	2
	69	-3.96064 1.67134 -1.28171 0.1 1. 1. 1.
	70	2
	71	5.67566 1.42984 -1.78291 0.1 1. 1. 1.
	72	2
	73	5.10266 2.74254 -0.715907 0.1 1. 1. 1.
	74	2
	75	6.16236 -0.927955 1.16559 0.1 1. 1. 1.
	76	2
	77	5.53756 -0.911555 -0.496607 0.1 1. 1. 1.
	78	2
	79	-4.84774 2.80654 1.40919 0.1 1. 1. 1.
	80	2
	81	5.68906 1.58194 1.24439 0.1 1. 1. 1.
	82	2
	83	-5.82304 4.61784 0.0247932 0.1 1. 1. 1.
	84	2
	85	-4.05744 4.53424 -0.184207 0.1 1. 1. 1.
	86	2
	87	-5.13424 3.87154 -1.43691 0.1 1. 1. 1.
	88	2
	89	-6.29174 0.967445 0.583993 0.1 1. 1. 1.
	90	2
	91	-7.12784 2.53484 0.473393 0.1 1. 1. 1.
	92	2
	93	-6.43904 1.78854 -0.988307 0.1 1. 1. 1.
	94	2
	95	7.55546 2.01984 -0.0120068 0.1 1. 1. 1.
	96	2
	97	0.939662 -3.01666 0.414493 0.1 1. 1. 1.
	98	2
	99	-0.152738 -1.94716 0.354093 0.1 1. 1. 1.
	100	2
	101	0.0659622 -1.03376 -0.880907 0.1 1. 1. 1.
	102	2
	103	-1.50434 -2.59696 0.0723932 0.1 1. 1. 1.
	104	2
	105	-0.0717378 -1.05346 1.57779 0.1 1. 1. 1.
	106	2
	107	1.52186 -0.603155 -0.873807 0.1 1. 1. 1.
	108	2
	109	-0.346038 -1.95996 -2.03011 0.1 1. 1. 1.
	110	2
	111	-2.63434 -1.74086 0.647893 0.1 1. 1. 1.
	112	2
	113	-1.61364 -2.66266 -1.47131 0.1 1. 1. 1.
	114	2
	115	1.36626 -0.519255 1.65039 0.1 1. 1. 1.
	116	2
	117	1.74646 0.246745 0.389693 0.1 1. 1. 1.
	118	2
	119	1.78606 0.287745 -2.09451 0.1 1. 1. 1.
	120	2
	121	-2.65324 -0.381955 -0.0548068 0.1 1. 1. 1.
	122	2
	123	-3.97304 -2.44796 0.426993 0.1 1. 1. 1.
	124	2
	125	3.21726 0.635145 0.478793 0.1 1. 1. 1.
	126	2
	127	3.13516 0.931145 -1.97401 0.1 1. 1. 1.
	128	2
	129	-3.80794 0.459345 0.492693 0.1 1. 1. 1.
	130	2
	131	3.34736 1.81094 1.44919 0.1 1. 1. 1.
	132	2
	133	3.76986 1.05884 -0.855107 0.1 1. 1. 1.
	134	2
	135	4.05806 -0.522555 1.01199 0.1 1. 1. 1.
	136	2
	137	-3.82684 1.81824 -0.210007 0.1 1. 1. 1.
	138	2
	139	5.16496 1.66244 -0.848507 0.1 1. 1. 1.
	140	2
	141	5.48576 -0.422855 0.476393 0.1 1. 1. 1.
	142	2
	143	-4.98154 2.65954 0.337493 0.1 1. 1. 1.
	144	2
	145	5.91796 1.03174 0.331693 0.1 1. 1. 1.
	146	2
	147	-5.00044 4.01854 -0.365207 0.1 1. 1. 1.
	148	2
	149	-6.30524 1.93554 0.0833932 0.1 1. 1. 1.
	150	2
	151	7.32406 1.08574 0.0829932 0.1 1. 1. 1.
	152	# All tesselation triangles
	153	8
	154	25. -1. 1. 1. 1. 0.0 0 0 0 2
	155	SOLID 1.0 0.0 0.0
	156	BACKFACE 0.3 0.3 1.0 0 0
	157	1
	158	7.32406 1.08574 0.0829932 5.67566 1.42984 -1.78291 7.55546 2.01984 -0.0120068 1. 0. 0.
	159	1
	160	7.32406 1.08574 0.0829932 5.67566 1.42984 -1.78291 5.53756 -0.911555 -0.496607 1. 0. 0.
	161	1
	162	7.32406 1.08574 0.0829932 6.16236 -0.927955 1.16559 5.53756 -0.911555 -0.496607 1. 0. 0.
	163	1
	164	1.75376 -0.319055 -2.99941 3.60736 1.29684 -2.87381 5.67566 1.42984 -1.78291 1. 0. 0.
	165	1
	166	1.75376 -0.319055 -2.99941 5.67566 1.42984 -1.78291 5.53756 -0.911555 -0.496607 1. 0. 0.
	167	1
	168	0.438062 -2.68776 -2.23921 1.75376 -0.319055 -2.99941 5.53756 -0.911555 -0.496607 1. 0. 0.
	169	1
	170	0.777562 -3.65286 1.28459 -0.300138 -1.62946 2.47449 4.07696 -0.484155 2.10119 1. 0. 0.
	171	1
	172	-0.300138 -1.62946 2.47449 1.45166 0.153645 2.50359 3.22946 1.45274 2.47189 1. 0. 0.
	173	1
	174	3.22946 1.45274 2.47189 4.07696 -0.484155 2.10119 6.16236 -0.927955 1.16559 1. 0. 0.
	175	1
	176	3.22946 1.45274 2.47189 6.16236 -0.927955 1.16559 5.68906 1.58194 1.24439 1. 0. 0.
	177	1
	178	6.16236 -0.927955 1.16559 5.68906 1.58194 1.24439 7.55546 2.01984 -0.0120068 1. 0. 0.
	179	1
	180	7.32406 1.08574 0.0829932 6.16236 -0.927955 1.16559 7.55546 2.01984 -0.0120068 1. 0. 0.
	181	1
	182	3.22946 1.45274 2.47189 4.33006 2.26874 1.33549 5.68906 1.58194 1.24439 1. 0. 0.
	183	1
	184	4.33006 2.26874 1.33549 5.68906 1.58194 1.24439 7.55546 2.01984 -0.0120068 1. 0. 0.
	185	1
	186	4.33006 2.26874 1.33549 -4.05744 4.53424 -0.184207 7.55546 2.01984 -0.0120068 1. 0. 0.
	187	1
	188	1.45166 0.153645 2.50359 3.22946 1.45274 2.47189 -4.84774 2.80654 1.40919 1. 0. 0.
	189	1
	190	-0.300138 -1.62946 2.47449 1.45166 0.153645 2.50359 -4.84774 2.80654 1.40919 1. 0. 0.
	191	1
	192	-4.76454 -1.89276 0.930293 -6.29174 0.967445 0.583993 -7.12784 2.53484 0.473393 1. 0. 0.
	193	1
	194	-4.76454 -1.89276 0.930293 -4.84774 2.80654 1.40919 -7.12784 2.53484 0.473393 1. 0. 0.
	195	1
	196	-0.300138 -1.62946 2.47449 -4.76454 -1.89276 0.930293 -3.92214 -3.45776 0.834093 1. 0. 0.
	197	1
	198	0.777562 -3.65286 1.28459 -0.300138 -1.62946 2.47449 -3.92214 -3.45776 0.834093 1. 0. 0.
	199	1
	200	0.777562 -3.65286 1.28459 -1.53704 -3.60006 0.497793 -3.92214 -3.45776 0.834093 1. 0. 0.
	201	1
	202	3.22946 1.45274 2.47189 -4.84774 2.80654 1.40919 -5.82304 4.61784 0.0247932 1. 0. 0.
	203	1
	204	-4.84774 2.80654 1.40919 -5.82304 4.61784 0.0247932 -7.12784 2.53484 0.473393 1. 0. 0.
	205	1
	206	0.904762 -3.62316 -0.490507 0.438062 -2.68776 -2.23921 -1.64154 -3.70136 -1.80061 1. 0. 0.
	207	1
	208	0.777562 -3.65286 1.28459 0.904762 -3.62316 -0.490507 -1.64154 -3.70136 -1.80061 1. 0. 0.
	209	1
	210	0.777562 -3.65286 1.28459 -1.53704 -3.60006 0.497793 -1.64154 -3.70136 -1.80061 1. 0. 0.
	211	1
	212	-1.53704 -3.60006 0.497793 -1.64154 -3.70136 -1.80061 -3.92214 -3.45776 0.834093 1. 0. 0.
	213	1
	214	-1.64154 -3.70136 -1.80061 -4.18614 -2.49696 -0.640907 -3.92214 -3.45776 0.834093 1. 0. 0.
	215	1
	216	-0.586638 -1.38326 -2.92321 0.438062 -2.68776 -2.23921 -1.64154 -3.70136 -1.80061 1. 0. 0.
	217	1
	218	-0.586638 -1.38326 -2.92321 0.438062 -2.68776 -2.23921 1.75376 -0.319055 -2.99941 1. 0. 0.
	219	1
	220	-1.64154 -3.70136 -1.80061 -4.18614 -2.49696 -0.640907 -6.43904 1.78854 -0.988307 1. 0. 0.
	221	1
	222	5.10266 2.74254 -0.715907 -4.05744 4.53424 -0.184207 -5.13424 3.87154 -1.43691 1. 0. 0.
	223	1
	224	5.10266 2.74254 -0.715907 -4.05744 4.53424 -0.184207 7.55546 2.01984 -0.0120068 1. 0. 0.
	225	1
	226	3.60736 1.29684 -2.87381 5.10266 2.74254 -0.715907 -5.13424 3.87154 -1.43691 1. 0. 0.
	227	1
	228	-4.18614 -2.49696 -0.640907 -3.92214 -3.45776 0.834093 -7.12784 2.53484 0.473393 1. 0. 0.
	229	1
	230	-4.76454 -1.89276 0.930293 -3.92214 -3.45776 0.834093 -6.29174 0.967445 0.583993 1. 0. 0.
	231	1
	232	-3.92214 -3.45776 0.834093 -6.29174 0.967445 0.583993 -7.12784 2.53484 0.473393 1. 0. 0.
	233	1
	234	-4.18614 -2.49696 -0.640907 -7.12784 2.53484 0.473393 -6.43904 1.78854 -0.988307 1. 0. 0.
	235	1
	236	3.60736 1.29684 -2.87381 5.67566 1.42984 -1.78291 5.10266 2.74254 -0.715907 1. 0. 0.
	237	1
	238	5.67566 1.42984 -1.78291 5.10266 2.74254 -0.715907 7.55546 2.01984 -0.0120068 1. 0. 0.
	239	1
	240	-5.82304 4.61784 0.0247932 -4.05744 4.53424 -0.184207 -5.13424 3.87154 -1.43691 1. 0. 0.
	241	1
	242	-5.13424 3.87154 -1.43691 -7.12784 2.53484 0.473393 -6.43904 1.78854 -0.988307 1. 0. 0.
	243	1
	244	-5.82304 4.61784 0.0247932 -5.13424 3.87154 -1.43691 -7.12784 2.53484 0.473393 1. 0. 0.
	245	1
	246	0.777562 -3.65286 1.28459 0.904762 -3.62316 -0.490507 6.16236 -0.927955 1.16559 1. 0. 0.
	247	1
	248	0.904762 -3.62316 -0.490507 6.16236 -0.927955 1.16559 5.53756 -0.911555 -0.496607 1. 0. 0.
	249	1
	250	0.904762 -3.62316 -0.490507 0.438062 -2.68776 -2.23921 5.53756 -0.911555 -0.496607 1. 0. 0.
	251	1
	252	4.33006 2.26874 1.33549 -5.82304 4.61784 0.0247932 -4.05744 4.53424 -0.184207 1. 0. 0.
	253	1
	254	0.777562 -3.65286 1.28459 4.07696 -0.484155 2.10119 6.16236 -0.927955 1.16559 1. 0. 0.
	255	1
	256	-0.586638 -1.38326 -2.92321 1.75376 -0.319055 -2.99941 -5.13424 3.87154 -1.43691 1. 0. 0.
	257	1
	258	1.75376 -0.319055 -2.99941 3.60736 1.29684 -2.87381 -5.13424 3.87154 -1.43691 1. 0. 0.
	259	1
	260	-0.586638 -1.38326 -2.92321 -5.13424 3.87154 -1.43691 -6.43904 1.78854 -0.988307 1. 0. 0.
	261	1
	262	-0.300138 -1.62946 2.47449 3.22946 1.45274 2.47189 4.07696 -0.484155 2.10119 1. 0. 0.
	263	1
	264	3.22946 1.45274 2.47189 4.33006 2.26874 1.33549 -5.82304 4.61784 0.0247932 1. 0. 0.
	265	1
	266	-0.300138 -1.62946 2.47449 -4.76454 -1.89276 0.930293 -4.84774 2.80654 1.40919 1. 0. 0.
	267	1
	268	-0.586638 -1.38326 -2.92321 -1.64154 -3.70136 -1.80061 -6.43904 1.78854 -0.988307 1. 0. 0.
	269	9
	270	# terminating special property
	271	# current virtual sphere
	272	8
	273	25.0 0.6 -1.0 -1.0 -1.0 0.2 0 0 0 0
	274	2
	275	-5.78057 0.0148446 0.630493 5 1 0 0
	276	9
	277	terminating special property

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