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 b25fa3 was cd7a87, checked in by Frederik Heber <heber@…>, 14 years ago |
|
Refactored Analysis regression tests, added angular dipole correlation - empty test.
- structure is now same as for Selection tests.
- Principal Axis System is now implemented (commented-out before).
- new Angular Dipole Correlation - empty test group created.
- templates for discrete angles and random distribution that are skipped for
the moment.
TESTFIXES:
- Analysis/6-7: lengths was dropped (default value of "0." is sufficient).
|
-
Property mode
set to
100644
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File size:
833 bytes
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| Line | |
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| 1 | AT_BANNER([MoleCuilder - Analysis])
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| 2 |
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| 3 | # 1. & 2. pair correlation analysis
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| 4 | m4_include(Analysis/testsuite-analysis-pair-correlation.at)
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| 5 |
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| 6 | # 3. pair correlation analysis to point
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| 7 | m4_include(Analysis/testsuite-analysis-point-correlation.at)
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| 8 |
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| 9 | # 4. pair correlation analysis to surface
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| 10 | m4_include(Analysis/testsuite-analysis-surface-correlation.at)
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| 11 |
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| 12 | # 5. principal axis system
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| 13 | m4_include(Analysis/testsuite-analysis-principal-axis-system.at)
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| 14 |
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| 15 | # 6. angular dipole correlation - empty
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| 16 | m4_include(Analysis/testsuite-analysis-angular-dipole-correlation-empty.at)
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| 17 |
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| 18 | # 7. angular dipole correlation - discrete angles
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| 19 | m4_include(Analysis/testsuite-analysis-angular-dipole-correlation-discrete-angles.at)
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| 20 |
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| 21 | # 8. angular dipole correlation - random distribution
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| 22 | m4_include(Analysis/testsuite-analysis-angular-dipole-correlation-random-distribution.at)
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