- Timestamp:
- Feb 22, 2012, 11:29:04 AM (14 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, 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
- Children:
- a19b4f
- Parents:
- 153985
- git-author:
- Frederik Heber <heber@…> (01/09/12 17:49:21)
- git-committer:
- Frederik Heber <heber@…> (02/22/12 11:29:04)
- Location:
- tests/regression/Analysis/DipoleAngularCorrelation/post
- Files:
-
- 37 edited
-
water_values_X.dat (modified) (1 diff)
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water_values_Y.0000.dat (modified) (1 diff)
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water_values_Y.0001.dat (modified) (1 diff)
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water_values_Y.0002.dat (modified) (1 diff)
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water_values_Y.0003.dat (modified) (1 diff)
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water_values_Y.0004.dat (modified) (1 diff)
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water_values_Y.0005.dat (modified) (1 diff)
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water_values_Y.0006.dat (modified) (1 diff)
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water_values_Y.0007.dat (modified) (1 diff)
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water_values_Y.0008.dat (modified) (1 diff)
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water_values_Y.0009.dat (modified) (1 diff)
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water_values_Y.0010.dat (modified) (1 diff)
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water_values_Y.0011.dat (modified) (1 diff)
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water_values_Y.0012.dat (modified) (1 diff)
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water_values_Y.0013.dat (modified) (1 diff)
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water_values_Y.0014.dat (modified) (1 diff)
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water_values_Y.0015.dat (modified) (1 diff)
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water_values_Y.0016.dat (modified) (1 diff)
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water_values_Y.0017.dat (modified) (1 diff)
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water_values_Y.0018.dat (modified) (1 diff)
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water_values_Y.0019.dat (modified) (1 diff)
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water_values_Y.0020.dat (modified) (1 diff)
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water_values_Y.0021.dat (modified) (1 diff)
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water_values_Y.0022.dat (modified) (1 diff)
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water_values_Y.0023.dat (modified) (1 diff)
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water_values_Y.0024.dat (modified) (1 diff)
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water_values_Y.0025.dat (modified) (1 diff)
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water_values_Y.0026.dat (modified) (1 diff)
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water_values_Y.0027.dat (modified) (1 diff)
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water_values_Y.0028.dat (modified) (1 diff)
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water_values_Y.0029.dat (modified) (1 diff)
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water_values_Y.0030.dat (modified) (1 diff)
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water_values_Y.0031.dat (modified) (1 diff)
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water_values_Y.0032.dat (modified) (1 diff)
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water_values_Y.0033.dat (modified) (1 diff)
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water_values_Y.0034.dat (modified) (1 diff)
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water_values_Y.0035.dat (modified) (1 diff)
Legend:
- Unmodified
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tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_X.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 0 0 0 O1,( 0,0,0)2 0 0 0 O1,(5,5,5) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0000.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 0 0 0 O1,( 0,0,0)2 0 0 0 O1,(5,5,5) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0001.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 19.988355 0 0 O1,( 0.005,0,-0.029)2 19.988355 0 0 O1,(5.005,5,4.971) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0002.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 29.965633 0 0 O1,( 0.011,0,-0.042)2 29.965633 0 0 O1,(5.011,5,4.958) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0003.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 39.9495 0 0 O1,( 0.019,0,-0.054)2 39.9495 0 0 O1,(5.019,5,4.946) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0004.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 49.902784 0 0 O1,( 0.029,0,-0.064)2 49.902784 0 0 O1,(5.029,5,4.936) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0005.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 59.912167 0 0 O1,( 0.041,0,-0.073)2 59.912167 0 0 O1,(5.041,5,4.927) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0006.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 69.875251 0 0 O1,( 0.054,0,-0.079)2 69.875251 0 0 O1,(5.054,5,4.921) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0007.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 79.865555 0 0 O1,( 0.068,0,-0.083)2 79.865555 0 0 O1,(5.068,5,4.917) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0008.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 89.89515 0 0 O1,( 0.083,0,-0.084)2 89.89515 0 0 O1,(5.083,5,4.916) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0009.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 99.906381 0 0 O1,( 0.098,0,-0.083)2 99.906381 0 0 O1,(5.098,5,4.917) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0010.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 109.87721 0 0 O1,( 0.112,0,-0.079)2 109.87721 0 0 O1,(5.112,5,4.921) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0011.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 119.86589 0 0 O1,( 0.125,0,-0.073)2 119.86589 0 0 O1,(5.125,5,4.927) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0012.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 129.84549 0 0 O1,( 0.137,0,-0.065)2 129.84549 0 0 O1,(5.137,5,4.935) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0013.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 139.83507 0 0 O1,( 0.148,0,-0.055)2 139.83507 0 0 O1,(5.148,5,4.945) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0014.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 149.86497 0 0 O1,( 0.157,0,-0.043)2 149.86497 0 0 O1,(5.157,5,4.957) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0015.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 159.84406 0 0 O1,( 0.163,0,-0.03)2 159.84406 0 0 O1,(5.163,5,4.97) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0016.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 169.85203 0 0 O1,( 0.167,0,-0.016)2 169.85203 0 0 O1,(5.167,5,4.984) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0017.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 179.86908 0 0 O1,( 0.168,0,-0.001)2 179.86908 0 0 O1,(5.168,5,4.999) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0018.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 170.11885 0 0 O1,( 0.167,0,0.014)2 170.11885 0 0 O1,(5.167,5,5.014) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0019.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 160.12587 0 0 O1,( 0.163,0,0.028)2 160.12587 0 0 O1,(5.163,5,5.028) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0020.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 150.15625 0 0 O1,( 0.157,0,0.041)2 150.15625 0 0 O1,(5.157,5,5.041) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0021.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 140.19504 0 0 O1,( 0.149,0,0.053)2 140.19504 0 0 O1,(5.149,5,5.053) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0022.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 130.19256 0 0 O1,( 0.139,0,0.064)2 130.19256 0 0 O1,(5.139,5,5.064) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0023.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 120.1801 0 0 O1,( 0.127,0,0.073)2 120.1801 0 0 O1,(5.127,5,5.073) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0024.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 110.19844 0 0 O1,( 0.114,0,0.079)2 110.19844 0 0 O1,(5.114,5,5.079) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0025.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 100.20052 0 0 O1,( 0.1,0,0.083)2 100.20052 0 0 O1,(5.1,5,5.083) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0026.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 90.191972 0 0 O1,( 0.085,0,0.084)2 90.191972 0 0 O1,(5.085,5,5.084) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0027.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 80.186503 0 0 O1,( 0.07,0,0.083)2 80.186503 0 0 O1,(5.07,5,5.083) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0028.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 70.198098 0 0 O1,( 0.056,0,0.079)2 70.198098 0 0 O1,(5.056,5,5.079) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0029.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 60.230824 0 0 O1,( 0.043,0,0.073)2 60.230824 0 0 O1,(5.043,5,5.073) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0030.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 50.269692 0 0 O1,( 0.031,0,0.065)2 50.269692 0 0 O1,(5.031,5,5.065) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0031.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 40.265045 0 0 O1,( 0.02,0,0.055)2 40.265045 0 0 O1,(5.02,5,5.055) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0032.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 30.279625 0 0 O1,( 0.011,0,0.043)2 30.279625 0 0 O1,(5.011,5,5.043) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0033.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 20.309244 0 0 O1,( 0.005,0,0.03)2 20.309244 0 0 O1,(5.005,5,5.03) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0034.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 10.334328 0 0 O1,( 0.001,0,0.016)2 10.334328 0 0 O1,(5.001,5,5.016) -
tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0035.dat
r153985 ra8ae6d 1 1 BinStart BinCenter BinEnd FirstAtomOfMolecule 2 0.31401001 0 0 O1,( -0,0,0.001)2 0.31401001 0 0 O1,(5,5,5.001)
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