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
|
Name
|
Size
|
Rev |
Age
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Author
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Last Change |
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../
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CustomException.cpp
|
853 bytes
|
ad011c
|
14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
|
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CustomException.hpp
|
735 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
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IllegalTypeException.cpp
|
743 bytes
|
ad011c
|
14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
|
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IllegalTypeException.hpp
|
522 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
|
LinearDependenceException.cpp
|
791 bytes
|
ad011c
|
14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
|
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LinearDependenceException.hpp
|
552 bytes
|
56f73b
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14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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Makefile.am
|
3.4 KB
|
e5bf2b
|
14 years
|
FrederikHeber |
removed CPPUNIT_LIBS/FLAGS from most Makefile.am and LIBS/libs -> …
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MathException.cpp
|
588 bytes
|
ad011c
|
14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
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MathException.hpp
|
425 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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MissingValueException.cpp
|
782 bytes
|
ad011c
|
14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
|
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MissingValueException.hpp
|
527 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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MultipleSolutionsException.hpp
|
908 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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NotInvertibleException.cpp
|
765 bytes
|
ad011c
|
14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
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NotInvertibleException.hpp
|
532 bytes
|
56f73b
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14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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NotOnSurfaceException.cpp
|
542 bytes
|
ad011c
|
14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
|
|
NotOnSurfaceException.hpp
|
526 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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|
ParseError.cpp
|
652 bytes
|
ad011c
|
14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
|
|
ParseError.hpp
|
449 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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|
ShapeException.cpp
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364 bytes
|
ad011c
|
14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
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ShapeException.hpp
|
432 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
|
SkewException.cpp
|
695 bytes
|
ad011c
|
14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
|
|
SkewException.hpp
|
469 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
|
ZeroVectorException.cpp
|
725 bytes
|
ad011c
|
14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
|
|
ZeroVectorException.hpp
|
508 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
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