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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unittests
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ce7fdc
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13 years
|
FrederikHeber |
HUGE: All Action-related codes resides now in namespace MoleCuilder.
…
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Query
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47d041
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13 years
|
FrederikHeber |
HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
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TypeEnumContainer.hpp
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1.2 KB
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12948c
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13 years
|
FrederikHeber |
Added new Query for std::vector of unsigned int.
- this is …
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TypeEnumContainer.cpp
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3.4 KB
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3bdb6d
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13 years
|
FrederikHeber |
Moved all stuff related to elements into own subfolder and has its own …
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CommandLineWindow.hpp
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802 bytes
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56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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CommandLineWindow.cpp
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1.8 KB
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47d041
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13 years
|
FrederikHeber |
HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
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CommandLineUIFactory.hpp
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1.9 KB
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56f73b
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14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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CommandLineUIFactory.cpp
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1.2 KB
|
ad011c
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14 years
|
FrederikHeber |
CodePatterns places all includes now in subfolder CodePatterns/.
- …
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CommandLineStatusIndicator.hpp
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558 bytes
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56f73b
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14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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CommandLineStatusIndicator.cpp
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1.6 KB
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ce7fdc
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13 years
|
FrederikHeber |
HUGE: All Action-related codes resides now in namespace MoleCuilder.
…
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CommandLineParser_validate.hpp
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748 bytes
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56f73b
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14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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CommandLineParser_validate.cpp
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5.2 KB
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528b3e
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14 years
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FrederikHeber |
Added conversion functions to VectorValue and BoxValue and changed …
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CommandLineParser.hpp
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3.3 KB
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e6c470
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13 years
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FrederikHeber |
Fixing documentation.
- removed out-dated documentation.
- removed …
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CommandLineParser.cpp
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20.1 KB
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47d041
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13 years
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FrederikHeber |
HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
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CommandLineDialog.hpp
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2.7 KB
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12948c
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13 years
|
FrederikHeber |
Added new Query for std::vector of unsigned int.
- this is …
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CommandLineDialog.cpp
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4.0 KB
|
12948c
|
13 years
|
FrederikHeber |
Added new Query for std::vector of unsigned int.
- this is …
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