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
|
Author
|
Last Change |
|
../
|
|
Jobs
|
|
cc5db5
|
13 years
|
FrederikHeber |
Moved all MPQCCommand... to src/Jobs, controller,server,poolworker to …
|
|
Operations
|
|
30438f
|
13 years
|
FrederikHeber |
OperationQueue can be blocked to prevent further operations to be …
|
|
Pool
|
|
30438f
|
13 years
|
FrederikHeber |
OperationQueue can be blocked to prevent further operations to be …
|
|
Results
|
|
7670865
|
13 years
|
FrederikHeber |
Moved FragmentResult to subfolder Results.
- changed includes and …
|
|
unittests
|
|
cc5db5
|
13 years
|
FrederikHeber |
Moved all MPQCCommand... to src/Jobs, controller,server,poolworker to …
|
|
atexit.cpp
|
959 bytes
|
630a6e
|
13 years
|
FrederikHeber |
Increased Verbosity for Server and Worker.
|
|
atexit.hpp
|
229 bytes
|
f7f995
|
13 years
|
FrederikHeber |
Renamed file server.cpp -> Server.cpp.
|
|
Connection.hpp
|
6.7 KB
|
7dd8bc
|
13 years
|
FrederikHeber |
Added template functions for sync_read() and sync_write() to …
|
|
ControllerChoices.hpp
|
477 bytes
|
b15c4f
|
13 years
|
FrederikHeber |
Added new RemoveAllWorkerOperation and removeall command to …
|
|
ExitflagContainer.hpp
|
1.2 KB
|
d57585
|
13 years
|
FrederikHeber |
Added ExitflagContainer that FragmentController and PoolWorker use.
- …
|
|
FragmentController.cpp
|
6.4 KB
|
311137
|
13 years
|
FrederikHeber |
Changed FragmentController::printDoneJob() -> ::getJobStatus() which …
|
|
FragmentController.hpp
|
2.0 KB
|
311137
|
13 years
|
FrederikHeber |
Changed FragmentController::printDoneJob() -> ::getJobStatus() which …
|
|
FragmentQueue.cpp
|
8.6 KB
|
d76161
|
13 years
|
FrederikHeber |
FIX: Removed channel JobRemoved from FragmentQueue as it may cause …
|
|
FragmentQueue.hpp
|
2.9 KB
|
d76161
|
13 years
|
FrederikHeber |
FIX: Removed channel JobRemoved from FragmentQueue as it may cause …
|
|
FragmentScheduler.cpp
|
22.0 KB
|
7f19f8
|
13 years
|
FrederikHeber |
Added helpful error message in ControllerListener_t::handle_ReceiveJobs().
|
|
FragmentScheduler.hpp
|
7.3 KB
|
bff93d
|
13 years
|
FrederikHeber |
RemoveFromPoolOperation is now async.
- changed PoolWorker such that …
|
|
GlobalJobId.cpp
|
633 bytes
|
d1dbfc
|
13 years
|
FrederikHeber |
New GetNextJobIdOperation for obtaining next available JobId from …
|
|
GlobalJobId.hpp
|
389 bytes
|
d1dbfc
|
13 years
|
FrederikHeber |
New GetNextJobIdOperation for obtaining next available JobId from …
|
|
JobId.cpp
|
864 bytes
|
b05673
|
13 years
|
FrederikHeber |
Introduced JobId as an own class that Job and Result inherit.
- …
|
|
JobId.hpp
|
836 bytes
|
c7deca
|
13 years
|
FrederikHeber |
Added static NoJob (id0) to FragmentScheduler to indicate empty queue …
|
|
Listener.cpp
|
2.6 KB
|
012c98
|
13 years
|
FrederikHeber |
We now set option reuse_address to be more gentle only used ports.
|
|
Listener.hpp
|
1.7 KB
|
8036b7
|
13 years
|
FrederikHeber |
Refactored Listener out of FragmentScheduler.
- this is preparatory …
|
|
Makefile.am
|
3.9 KB
|
cc5db5
|
13 years
|
FrederikHeber |
Moved all MPQCCommand... to src/Jobs, controller,server,poolworker to …
|
|
types.hpp
|
333 bytes
|
778abb
|
13 years
|
FrederikHeber |
Added ResultGetter and capabilities to receive calculated results to …
|
|
WorkerAddress.cpp
|
1.7 KB
|
edbf88
|
13 years
|
FrederikHeber |
Added WorkerAddress, serializable host+service address.
- also added …
|
|
WorkerAddress.hpp
|
1.3 KB
|
edbf88
|
13 years
|
FrederikHeber |
Added WorkerAddress, serializable host+service address.
- also added …
|
|
WorkerChoices.hpp
|
403 bytes
|
a8f54b6
|
13 years
|
FrederikHeber |
Added RemoveFromPoolOperation.
- is a SyncOperation for the Worker.
- …
|
-
Property mode
set to
040000
|
Note:
See
TracBrowser
for help on using the repository browser.
