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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actions.dox
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3.2 KB
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eee1b7
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12 years
|
FrederikHeber |
DOCU: Documentation on ShapeRegistry, QtUI changes, validators, and …
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atoms.dox
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3.1 KB
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9e1d01
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13 years
|
FrederikHeber |
Added CopyAtoms structure.
- this creates a copy of a vector of atoms …
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bondgraph.dox
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1.1 KB
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750cff
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13 years
|
FrederikHeber |
HUGE: Update on documenation.
- a general skeleton of the …
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constructs.dox
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1.2 KB
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48d20d
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12 years
|
FrederikHeber |
Added new action FitPotentialAction to fit empirical potentials.
- …
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descriptors.dox
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3.9 KB
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ea7a50
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13 years
|
FrederikHeber |
Rewrote some of the descriptors such that they access World's AtomSet …
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filling.dox
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3.3 KB
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dba7b0
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13 years
|
FrederikHeber |
Extended filling documentation for Inserter.
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fragmentation.dox
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1.2 KB
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750cff
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13 years
|
FrederikHeber |
HUGE: Update on documenation.
- a general skeleton of the …
|
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linearalgebra.dox
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836 bytes
|
750cff
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13 years
|
FrederikHeber |
HUGE: Update on documenation.
- a general skeleton of the …
|
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linkedcell.dox
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4.4 KB
|
38c5d1
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13 years
|
FrederikHeber |
Documentation update on how to use the new linked cell construct.
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logger.dox
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1.0 KB
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750cff
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13 years
|
FrederikHeber |
HUGE: Update on documenation.
- a general skeleton of the …
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|
molecules.dox
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2.1 KB
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560bbe
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13 years
|
FrederikHeber |
AtomicInfo now also (re)stores ParticleInfo::Nr, molecule has own …
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observers_observables.dox
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4.6 KB
|
760c4c
|
13 years
|
FrederikHeber |
Cleaned observer structure in atom.
- Added new channel BondsRemoved …
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parameters.dox
|
1.2 KB
|
eee1b7
|
12 years
|
FrederikHeber |
DOCU: Documentation on ShapeRegistry, QtUI changes, validators, and …
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parsers.dox
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4.0 KB
|
750cff
|
13 years
|
FrederikHeber |
HUGE: Update on documenation.
- a general skeleton of the …
|
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potentials.dox
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6.9 KB
|
48d20d
|
12 years
|
FrederikHeber |
Added new action FitPotentialAction to fit empirical potentials.
- …
|
|
qt-gui.dox
|
5.0 KB
|
8c9049
|
12 years
|
FrederikHeber |
DOCU: Updates for qt-gui and shaperegistry documentation.
|
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queries.dox
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2.7 KB
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eee1b7
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12 years
|
FrederikHeber |
DOCU: Documentation on ShapeRegistry, QtUI changes, validators, and …
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|
randomnumbers.dox
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2.0 KB
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750cff
|
13 years
|
FrederikHeber |
HUGE: Update on documenation.
- a general skeleton of the …
|
|
serialization.dox
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6.0 KB
|
bc3411
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13 years
|
FrederikHeber |
DOCU: Added some important notes in usual mistakes to serialization.dox.
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shaperegistry.dox
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1.6 KB
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8c9049
|
12 years
|
FrederikHeber |
DOCU: Updates for qt-gui and shaperegistry documentation.
|
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shapes.dox
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1.4 KB
|
eee1b7
|
12 years
|
FrederikHeber |
DOCU: Documentation on ShapeRegistry, QtUI changes, validators, and …
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tesselation.dox
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1.8 KB
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750cff
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13 years
|
FrederikHeber |
HUGE: Update on documenation.
- a general skeleton of the …
|
|
validators.dox
|
1.4 KB
|
eee1b7
|
12 years
|
FrederikHeber |
DOCU: Documentation on ShapeRegistry, QtUI changes, validators, and …
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|
values.dox
|
3.1 KB
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b2c302
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13 years
|
FrederikHeber |
DOCU: Extended documentation on how values from the user are …
|
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world.dox
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5.0 KB
|
b97a60
|
13 years
|
FrederikHeber |
Modified IdPool implementation to give either unique or continuous …
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set to
040000
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