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
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Name
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Size
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Rev |
Age
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Author
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Last Change |
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../
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LinearSystemOfEquationsUnitTest.cpp
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3.5 KB
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94d5ac6
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12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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LinearSystemOfEquationsUnitTest.hpp
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1016 bytes
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bf4b9f
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14 years
|
FrederikHeber |
Moved LinearAlgebra from folder src/ into distinct sub-package.
- …
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LineUnitTest.cpp
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16.6 KB
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94d5ac6
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12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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LineUnitTest.hpp
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1.0 KB
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50c35d
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13 years
|
FrederikHeber |
Added Line::getRotationMatrix() and …
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Makefile.am
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2.9 KB
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0cfc27
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12 years
|
FrederikHeber |
If no CPPUNIT is found, compilation of unit tests is disabled.
- uses …
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MatrixContentSymmetricUnitTest.cpp
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7.4 KB
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94d5ac6
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12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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|
MatrixContentSymmetricUnitTest.hpp
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1011 bytes
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bf4b9f
|
14 years
|
FrederikHeber |
Moved LinearAlgebra from folder src/ into distinct sub-package.
- …
|
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MatrixContentUnitTest.cpp
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10.4 KB
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94d5ac6
|
12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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MatrixContentUnitTest.hpp
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1.1 KB
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29cbe9
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13 years
|
FrederikHeber |
Added serialization capabilities to VectorContent and MatrixContent.
…
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PlaneUnitTest.cpp
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8.4 KB
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94d5ac6
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12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
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PlaneUnitTest.hpp
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926 bytes
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bf4b9f
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14 years
|
FrederikHeber |
Moved LinearAlgebra from folder src/ into distinct sub-package.
- …
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|
RealSpaceMatrixUnitTest.cpp
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12.9 KB
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94d5ac6
|
12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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RealSpaceMatrixUnitTest.hpp
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1.2 KB
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c2e567
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13 years
|
FrederikHeber |
Added serialization capability to RealSpaceMatrix.
- added …
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TestRunnerMain.cpp
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1.3 KB
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94d5ac6
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12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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UnitTestMain.cpp
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1.8 KB
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94d5ac6
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12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
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VectorContentUnitTest.cpp
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5.8 KB
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94d5ac6
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12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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VectorContentUnitTest.hpp
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1.1 KB
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29cbe9
|
13 years
|
FrederikHeber |
Added serialization capabilities to VectorContent and MatrixContent.
…
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VectorSetUnitTest.cpp
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4.4 KB
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26249f
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12 years
|
FrederikHeber |
FIX: Fixed new copyright line since start of 2013 in CodeChecks test …
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VectorSetUnitTest.hpp
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958 bytes
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31021ab
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12 years
|
FrederikHeber |
Optimized Bondgraph detection.
- VectorSet::minDistance() now …
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VectorUnitTest.cpp
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9.4 KB
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94d5ac6
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12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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VectorUnitTest.hpp
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1.6 KB
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e23075
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13 years
|
FrederikHeber |
Added new VectorSetUnitTest.
|
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