Action_Thermostats
Add_AtomRandomPerturbation
Add_FitFragmentPartialChargesAction
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.5.4
Candidate_v1.6.0
Candidate_v1.6.1
Candidate_v1.7.0
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
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_ChargeSampling_PBC
Fix_ChronosMutex
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ForceAnnealing
Fix_IndependentFragmentGrids
Fix_ParseParticles
Fix_ParseParticles_split_forward_backward_Actions
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IndividualZeroInstances
IndependentFragmentGrids_IntegrationTest
IndependentFragmentGrids_Sole_NN_Calculation
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TrajectoryDependenant_MaxOrder
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
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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VectorUnitTest.hpp
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1.6 KB
|
e23075
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14 years
|
FrederikHeber |
Added new VectorSetUnitTest.
|
|
VectorUnitTest.cpp
|
9.4 KB
|
94d5ac6
|
13 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
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VectorSetUnitTest.hpp
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958 bytes
|
31021ab
|
13 years
|
FrederikHeber |
Optimized Bondgraph detection.
- VectorSet::minDistance() now …
|
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VectorSetUnitTest.cpp
|
4.4 KB
|
26249f
|
12 years
|
FrederikHeber |
FIX: Fixed new copyright line since start of 2013 in CodeChecks test …
|
|
VectorContentUnitTest.hpp
|
1.1 KB
|
29cbe9
|
14 years
|
FrederikHeber |
Added serialization capabilities to VectorContent and MatrixContent.
…
|
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VectorContentUnitTest.cpp
|
5.8 KB
|
94d5ac6
|
13 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
|
UnitTestMain.cpp
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1.8 KB
|
94d5ac6
|
13 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
|
TestRunnerMain.cpp
|
1.3 KB
|
94d5ac6
|
13 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
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RealSpaceMatrixUnitTest.hpp
|
1.2 KB
|
c2e567
|
14 years
|
FrederikHeber |
Added serialization capability to RealSpaceMatrix.
- added …
|
|
RealSpaceMatrixUnitTest.cpp
|
12.9 KB
|
94d5ac6
|
13 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
|
PlaneUnitTest.hpp
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926 bytes
|
bf4b9f
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15 years
|
FrederikHeber |
Moved LinearAlgebra from folder src/ into distinct sub-package.
- …
|
|
PlaneUnitTest.cpp
|
8.4 KB
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94d5ac6
|
13 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
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MatrixContentUnitTest.hpp
|
1.1 KB
|
29cbe9
|
14 years
|
FrederikHeber |
Added serialization capabilities to VectorContent and MatrixContent.
…
|
|
MatrixContentUnitTest.cpp
|
10.4 KB
|
94d5ac6
|
13 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
|
MatrixContentSymmetricUnitTest.hpp
|
1011 bytes
|
bf4b9f
|
15 years
|
FrederikHeber |
Moved LinearAlgebra from folder src/ into distinct sub-package.
- …
|
|
MatrixContentSymmetricUnitTest.cpp
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7.4 KB
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94d5ac6
|
13 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Makefile.am
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2.9 KB
|
3b35e7
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11 years
|
FrederikHeber |
Fixes due to update to Ubuntu 14.04.
- subdir-objects is default …
|
|
LineUnitTest.hpp
|
1.0 KB
|
50c35d
|
14 years
|
FrederikHeber |
Added Line::getRotationMatrix() and …
|
|
LineUnitTest.cpp
|
16.6 KB
|
94d5ac6
|
13 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
|
LinearSystemOfEquationsUnitTest.hpp
|
1016 bytes
|
bf4b9f
|
15 years
|
FrederikHeber |
Moved LinearAlgebra from folder src/ into distinct sub-package.
- …
|
|
LinearSystemOfEquationsUnitTest.cpp
|
3.5 KB
|
94d5ac6
|
13 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
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