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
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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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BondLengthTableAction.cpp
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3.2 KB
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41a467
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14 years
|
FrederikHeber |
LARGE: config class is now just a tiny container.
- this was …
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BondLengthTableAction.def
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1.1 KB
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b1ac7a
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14 years
|
FrederikHeber |
Added Undo/Redo capabilities to BondLengthTableAction.
- thanks to …
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BondLengthTableAction.hpp
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374 bytes
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56f73b
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15 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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ElementDbAction.cpp
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3.4 KB
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47d041
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14 years
|
FrederikHeber |
HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
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ElementDbAction.def
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1.0 KB
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220cf64
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14 years
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FrederikHeber |
Added Undo/Redo capability to ElementDbAction.
- thanks to …
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ElementDbAction.hpp
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352 bytes
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220cf64
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14 years
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FrederikHeber |
Added Undo/Redo capability to ElementDbAction.
- thanks to …
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FastParsingAction.cpp
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2.3 KB
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47d041
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14 years
|
FrederikHeber |
HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
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FastParsingAction.def
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1.1 KB
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e4afb4
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15 years
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FrederikHeber |
Huge refactoring: Introduction of Traits to Actions.
This change is …
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FastParsingAction.hpp
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354 bytes
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56f73b
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15 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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HelpAction.cpp
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4.1 KB
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ce7fdc
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14 years
|
FrederikHeber |
HUGE: All Action-related codes resides now in namespace MoleCuilder.
…
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HelpAction.def
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1013 bytes
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dac853c
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15 years
|
FrederikHeber |
Rewrote HelpAction.
- is currently only useful to CommandLineParser. …
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HelpAction.hpp
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319 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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VerboseAction.cpp
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2.2 KB
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47d041
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14 years
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FrederikHeber |
HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
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VerboseAction.def
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955 bytes
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e4afb4
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15 years
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FrederikHeber |
Huge refactoring: Introduction of Traits to Actions.
This change is …
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VerboseAction.hpp
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334 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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VersionAction.cpp
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1.2 KB
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ce7fdc
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14 years
|
FrederikHeber |
HUGE: All Action-related codes resides now in namespace MoleCuilder.
…
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VersionAction.def
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887 bytes
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e4afb4
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15 years
|
FrederikHeber |
Huge refactoring: Introduction of Traits to Actions.
This change is …
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VersionAction.hpp
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334 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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WarrantyAction.cpp
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1.5 KB
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ce7fdc
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14 years
|
FrederikHeber |
HUGE: All Action-related codes resides now in namespace MoleCuilder.
…
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WarrantyAction.def
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897 bytes
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e4afb4
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15 years
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FrederikHeber |
Huge refactoring: Introduction of Traits to Actions.
This change is …
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WarrantyAction.hpp
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340 bytes
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56f73b
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15 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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