Changeset 482373 for tests/regression/Tesselation/3/post
- Timestamp:
- Dec 16, 2009, 4:17:50 PM (15 years ago)
- Branches:
- 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
- Children:
- 0b2dd2
- Parents:
- e359a8
- git-author:
- Frederik Heber <heber@…> (12/16/09 16:13:53)
- git-committer:
- Frederik Heber <heber@…> (12/16/09 16:17:50)
- Location:
- tests/regression/Tesselation/3/post
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
tests/regression/Tesselation/3/post/NonConvexEnvelope.dat
re359a8 r482373 1 1 TITLE = "3D CONVEX SHELL" 2 2 VARIABLES = "X" "Y" "Z" "U" 3 ZONE T=" 0- H49_ H50_ H51", N=44, E=86, DATAPACKING=POINT, ZONETYPE=FETRIANGLE3 ZONE T="test", N=44, E=86, DATAPACKING=POINT, ZONETYPE=FETRIANGLE 4 4 6.9077 1.1106 0.1214 1 5 5 0.3612 -3.628 1.323 1 … … 28 28 2.8131 1.4776 2.5103 0 29 29 3.9137 2.2936 1.3739 0 30 2.159 2.5738 1.2698 230 2.159 2.5738 1.2698 5 31 31 3.6606 -0.4593 2.1396 2 32 32 3.2007 -1.4419 0.7311 4 33 -3.3002 2.3589 0.0094 533 -3.3002 2.3589 0.0094 8 34 34 -4.377 1.6962 -1.2433 3 35 35 5.2593 1.4547 -1.7445 0 … … 40 40 5.2727 1.6068 1.2828 2 41 41 -6.2394 4.6427 0.0632 0 42 -4.4738 4.5591 -0.1458 142 -4.4738 4.5591 -0.1458 3 43 43 -5.5506 3.8964 -1.3985 0 44 44 -6.7081 0.9923 0.6224 2 … … 49 49 1 32 44 50 50 1 32 35 51 32 33 4452 51 1 34 35 53 52 23 32 35 54 23 32 33 53 17 23 35 54 8 17 35 55 8 10 17 56 3 8 10 57 3 8 35 58 3 4 35 59 4 29 35 60 29 34 35 61 2 3 4 62 2 4 29 63 2 15 29 64 15 28 29 65 28 29 34 66 2 7 15 67 7 14 15 68 14 15 28 69 14 25 28 70 25 28 37 71 28 34 37 72 1 34 37 73 1 37 44 74 25 26 37 75 25 26 27 76 26 27 33 55 77 26 33 44 56 1 34 3757 29 34 3558 17 23 3559 18 23 3360 26 27 3361 78 26 37 44 62 1 37 4463 28 34 3764 28 29 3465 4 29 3566 17 18 2367 8 17 3568 18 27 3369 25 26 2770 25 26 3771 25 28 3772 15 28 2973 2 4 2974 3 4 3575 9 17 1876 8 10 1777 3 8 3578 16 18 2779 79 14 25 27 80 14 25 2881 14 15 2882 2 15 2983 2 3 484 9 10 1785 9 18 3186 3 8 1087 16 18 3088 16 27 3089 80 14 27 30 90 7 14 1591 2 7 1592 2 3 593 9 10 1294 9 19 3195 18 30 3196 3 10 1297 81 6 14 30 82 6 24 30 83 24 30 36 84 30 36 39 85 27 30 39 86 6 7 24 98 87 6 7 14 99 2 5 7100 3 5 12101 9 12 13102 9 13 19103 13 19 31104 30 31 39105 6 24 30106 6 7 24107 5 7 11108 5 12 22109 12 13 21110 13 21 31111 27 30 39112 31 39 40113 24 30 36114 88 7 11 24 115 5 11 22 116 12 21 22 117 21 31 43 118 31 40 43 119 40 42 43 120 41 42 43 121 21 41 43 122 20 21 41 89 11 20 24 123 90 20 24 41 124 91 24 36 41 125 92 36 41 42 93 11 20 22 94 5 11 22 95 5 7 11 96 2 5 7 97 27 30 39 98 16 27 30 99 16 18 30 100 16 18 27 101 18 27 33 102 18 23 33 103 36 38 39 126 104 36 38 42 105 18 30 31 106 30 31 39 107 31 39 40 108 9 18 31 109 9 17 18 110 17 18 23 111 9 19 31 112 9 13 19 113 13 19 31 114 13 21 31 115 21 31 43 116 31 40 43 117 9 12 13 118 9 10 12 119 9 10 17 120 12 13 21 121 12 21 22 122 5 12 22 123 3 5 12 124 2 3 5 125 3 10 12 126 20 21 22 127 20 21 41 128 21 41 43 129 41 42 43 130 23 32 33 131 32 33 44 132 40 42 43 127 133 38 40 42 128 134 38 39 40 129 36 38 39130 30 36 39131 27 30 39132 11 20 24133 11 20 22134 20 21 22 -
tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d
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7.56833 1.97852 -0.00632877 1. 0. 0.183 1184 7.33693 1.04442 0.0886712 5.70193 1.54062 1.25007 7.56833 1.97852 -0.00632877 1. 0. 0.185 1186 4.08983 -0.525479 2.10687 6.17523 -0.969279 1.17127 5.70193 1.54062 1.25007 1. 0. 0.187 1188 4.08983 -0.525479 2.10687 3.62993 -1.50808 0.698371 6.17523 -0.969279 1.17127 1. 0. 0.189 1190 1.92773 -2.57738 0.498071 3.62993 -1.50808 0.698371 5.55043 -0.952879 -0.490929 1. 0. 0.191 1192 1.76663 -0.360379 -2.99373 1.03283 1.01972 -2.14533 3.62023 1.25552 -2.86813 1. 0. 0.193 1194 2.19193 -1.51408 -0.867629 1.76663 -0.360379 -2.99373 5.55043 -0.952879 -0.490929 1. 0. 0.195 1196 1.03283 1.01972 -2.14533 2.58823 2.50762 1.23707 5.11553 2.70122 -0.710229 1. 0. 0.197 1198 3.24233 1.41142 2.47757 4.34293 2.22742 1.34117 2.58823 2.50762 1.23707 1. 0. 0.199 1200 3.24233 1.41142 2.47757 4.34293 2.22742 1.34117 5.70193 1.54062 1.25007 1. 0. 0.201 1202 3.24233 1.41142 2.47757 4.08983 -0.525479 2.10687 5.70193 1.54062 1.25007 1. 0. 0.203 1204 2.06173 -1.39848 1.79787 4.08983 -0.525479 2.10687 3.62993 -1.50808 0.698371 1. 0. 0.205 1206 0.790434 -3.69418 1.29027 1.92773 -2.57738 0.498071 3.62993 -1.50808 0.698371 1. 0. 0.207 1208 0.917634 -3.66448 -0.484829 1.92773 -2.57738 0.498071 5.55043 -0.952879 -0.490929 1. 0. 0.209 1210 -0.573766 -1.42458 -2.91753 1.76663 -0.360379 -2.99373 1.03283 1.01972 -2.14533 1. 0. 0.211 1212 2.19193 -1.51408 -0.867629 0.450934 -2.72908 -2.23353 1.76663 -0.360379 -2.99373 1. 0. 0.213 1214 0.917634 -3.66448 -0.484829 2.19193 -1.51408 -0.867629 5.55043 -0.952879 -0.490929 1. 0. 0.215 1216 1.15633 1.11082 0.326671 1.03283 1.01972 -2.14533 2.58823 2.50762 1.23707 1. 0. 0.217 1218 1.46453 0.112321 2.50927 3.24233 1.41142 2.47757 2.58823 2.50762 1.23707 1. 0. 0.219 1220 1.46453 0.112321 2.50927 3.24233 1.41142 2.47757 4.08983 -0.525479 2.10687 1. 0. 0.221 1222 1.46453 0.112321 2.50927 2.06173 -1.39848 1.79787 4.08983 -0.525479 2.10687 1. 0. 0.223 1224 0.790434 -3.69418 1.29027 2.06173 -1.39848 1.79787 3.62993 -1.50808 0.698371 1. 0. 0.225 1226 0.790434 -3.69418 1.29027 0.917634 -3.66448 -0.484829 1.92773 -2.57738 0.498071 1. 0. 0.227 1228 -0.573766 -1.42458 -2.91753 0.450934 -2.72908 -2.23353 1.76663 -0.360379 -2.99373 1. 0. 0.229 1230 -0.573766 -1.42458 -2.91753 1.03283 1.01972 -2.14533 -3.94777 1.63002 -1.27603 1. 0. 0.231 1232 0.917634 -3.66448 -0.484829 2.19193 -1.51408 -0.867629 0.450934 -2.72908 -2.23353 1. 0. 0.233 1234 1.15633 1.11082 0.326671 1.03283 1.01972 -2.14533 -2.87097 2.29272 -0.0233288 1. 0. 0.235 1236 1.15633 1.11082 0.326671 2.58823 2.50762 1.23707 -2.87097 2.29272 -0.0233288 1. 0. 0.237 1238 1.46453 0.112321 2.50927 2.58823 2.50762 1.23707 -2.87097 2.29272 -0.0233288 1. 0. 0.239 1240 -0.287266 -1.67078 2.48017 1.46453 0.112321 2.50927 2.06173 -1.39848 1.79787 1. 0. 0.241 1242 0.790434 -3.69418 1.29027 -0.287266 -1.67078 2.48017 2.06173 -1.39848 1.79787 1. 0. 0.243 1244 0.790434 -3.69418 1.29027 0.917634 -3.66448 -0.484829 -1.52417 -3.64138 0.503471 1. 0. 0.245 1246 -0.573766 -1.42458 -2.91753 0.450934 -2.72908 -2.23353 -1.62867 -3.74268 -1.79493 1. 0. 0.247 1248 -0.573766 -1.42458 -2.91753 -2.77417 -0.570279 -1.12083 -3.94777 1.63002 -1.27603 1. 0. 0.249 1250 1.03283 1.01972 -2.14533 -2.87097 2.29272 -0.0233288 -3.94777 1.63002 -1.27603 1. 0. 0.251 1252 0.917634 -3.66448 -0.484829 0.450934 -2.72908 -2.23353 -1.62867 -3.74268 -1.79493 1. 0. 0.253 1254 -0.759066 -0.265179 1.48487 1.46453 0.112321 2.50927 -2.87097 2.29272 -0.0233288 1. 0. 0.255 1256 -0.759066 -0.265179 1.48487 -0.287266 -1.67078 2.48017 1.46453 0.112321 2.50927 1. 0. 0.257 1258 0.790434 -3.69418 1.29027 -1.52417 -3.64138 0.503471 -0.287266 -1.67078 2.48017 1. 0. 0.259 1260 0.917634 -3.66448 -0.484829 -1.52417 -3.64138 0.503471 -1.62867 -3.74268 -1.79493 1. 0. 0.261 1262 -0.573766 -1.42458 -2.91753 -1.62867 -3.74268 -1.79493 -2.49667 -2.18078 -1.79993 1. 0. 0.263 1264 -0.573766 -1.42458 -2.91753 -2.49667 -2.18078 -1.79993 -2.77417 -0.570279 -1.12083 1. 0. 0.265 1266 -2.49667 -2.18078 -1.79993 -2.77417 -0.570279 -1.12083 -3.94777 1.63002 -1.27603 1. 0. 0.267 1268 -2.87097 2.29272 -0.0233288 -3.94777 1.63002 -1.27603 -4.04457 4.49292 -0.178529 1. 0. 0.269 1270 -0.759066 -0.265179 1.48487 -3.66127 0.565021 1.57007 -2.87097 2.29272 -0.0233288 1. 0. 0.271 1272 -0.759066 -0.265179 1.48487 -0.287266 -1.67078 2.48017 -3.66127 0.565021 1.57007 1. 0. 0.273 1274 -1.52417 -3.64138 0.503471 -0.287266 -1.67078 2.48017 -2.45927 -1.63678 1.72157 1. 0. 0.275 1276 -1.52417 -3.64138 0.503471 -1.62867 -3.74268 -1.79493 -3.90927 -3.49908 0.839771 1. 0. 0.277 1278 -1.62867 -3.74268 -1.79493 -2.49667 -2.18078 -1.79993 -4.17327 -2.53828 -0.635229 1. 0. 0.279 1280 -2.49667 -2.18078 -1.79993 -4.17327 -2.53828 -0.635229 -3.94777 1.63002 -1.27603 1. 0. 0.281 1282 2.58823 2.50762 1.23707 -2.87097 2.29272 -0.0233288 -4.04457 4.49292 -0.178529 1. 0. 0.283 1284 -3.94777 1.63002 -1.27603 -4.04457 4.49292 -0.178529 -5.12137 3.83022 -1.43123 1. 0. 0.285 1286 -3.66127 0.565021 1.57007 -2.87097 2.29272 -0.0233288 -4.83487 2.76522 1.41487 1. 0. 0.287 1288 -0.287266 -1.67078 2.48017 -2.45927 -1.63678 1.72157 -3.66127 0.565021 1.57007 1. 0. 0.289 1290 -1.52417 -3.64138 0.503471 -2.45927 -1.63678 1.72157 -3.90927 -3.49908 0.839771 1. 0. 0.291 1292 -1.62867 -3.74268 -1.79493 -4.17327 -2.53828 -0.635229 -3.90927 -3.49908 0.839771 1. 0. 0.293 1294 -4.17327 -2.53828 -0.635229 -3.94777 1.63002 -1.27603 -6.42617 1.74722 -0.982629 1. 0. 0.295 1296 -3.94777 1.63002 -1.27603 -5.12137 3.83022 -1.43123 -6.42617 1.74722 -0.982629 1. 0. 0.297 1298 324 -5.12137 3.83022 -1.43123 -7.11497 2.49352 0.479071 -6.42617 1.74722 -0.982629 1. 0. 0. 299 325 1 300 -6.27887 0.926121 0.589671 -7.11497 2.49352 0.479071 -6.42617 1.74722 -0.982629 1. 0. 0.301 1302 -4.17327 -2.53828 -0.635229 -6.27887 0.926121 0.589671 -6.42617 1.74722 -0.982629 1. 0. 0.303 1304 -4.75167 -1.93408 0.935971 -4.17327 -2.53828 -0.635229 -6.27887 0.926121 0.589671 1. 0. 0.305 1306 -4.75167 -1.93408 0.935971 -3.66127 0.565021 1.57007 -6.27887 0.926121 0.589671 1. 0. 0.307 1308 -3.66127 0.565021 1.57007 -4.83487 2.76522 1.41487 -6.27887 0.926121 0.589671 1. 0. 0.309 1310 -4.83487 2.76522 1.41487 -6.27887 0.926121 0.589671 -7.11497 2.49352 0.479071 1. 0. 0.311 1312 -4.83487 2.76522 1.41487 -5.81017 4.57652 0.0304712 -7.11497 2.49352 0.479071 1. 0. 0.313 1314 326 -5.81017 4.57652 0.0304712 -5.12137 3.83022 -1.43123 -7.11497 2.49352 0.479071 1. 0. 0. 315 327 1 316 328 -5.81017 4.57652 0.0304712 -4.04457 4.49292 -0.178529 -5.12137 3.83022 -1.43123 1. 0. 0. 317 1318 -4.83487 2.76522 1.41487 -5.81017 4.57652 0.0304712 -4.04457 4.49292 -0.178529 1. 0. 0.319 1320 -2.87097 2.29272 -0.0233288 -4.83487 2.76522 1.41487 -4.04457 4.49292 -0.178529 1. 0. 0.321 1322 2.58823 2.50762 1.23707 -2.87097 2.29272 -0.0233288 -4.04457 4.49292 -0.178529 1. 0. 0.323 1324 -2.45927 -1.63678 1.72157 -4.75167 -1.93408 0.935971 -3.66127 0.565021 1.57007 1. 0. 0.325 1326 -2.45927 -1.63678 1.72157 -4.75167 -1.93408 0.935971 -3.90927 -3.49908 0.839771 1. 0. 0.327 1328 -4.75167 -1.93408 0.935971 -4.17327 -2.53828 -0.635229 -3.90927 -3.49908 0.839771 1. 0. 0.329 329 9 330 330 # terminating special property … … 333 333 25.0 0.6 -1.0 -1.0 -1.0 0.2 0 0 0 0 334 334 2 335 -4. 27807 -2.65715 0.3801715 1 0 0335 -4.99203 4.29989 -0.526429 5 1 0 0 336 336 9 337 337 terminating special property
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