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
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Last Change |
../
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VectorsQtQuery.cpp
|
1.6 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
VectorQtQuery.cpp
|
2.7 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
UnsignedIntsQtQuery.cpp
|
1.7 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
UnsignedIntQtQuery.cpp
|
1.3 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
StringsQtQuery.cpp
|
1.6 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
StringQtQuery.cpp
|
1.3 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
RealSpaceMatrixQtQuery.cpp
|
1.9 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
RandomNumberDistribution_ParametersQtQuery.cpp
|
1.8 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
QtQueryList.hpp
|
4.2 KB
|
7e6a1b
|
13 years
|
ankele |
Fix: list queries called wrong update function
|
QtQueryList.cpp
|
2.0 KB
|
7b8a8e
|
13 years
|
ankele |
QtQueryList added (only used in StringsQtQuery yet)
|
QtQuery.hpp
|
10.2 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
MoleculesQtQuery.cpp
|
1.6 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
MoleculeQtQuery.cpp
|
1.7 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
IntsQtQuery.cpp
|
1.6 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
IntQtQuery.cpp
|
1.2 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
FilesQtQuery.cpp
|
1.6 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
FileQtQuery.cpp
|
2.3 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
EmptyQtQuery.cpp
|
960 bytes
|
08e137
|
13 years
|
ankele |
all xxxQtQueryPipe removed
|
ElementsQtQuery.cpp
|
1.6 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
ElementQtQuery.cpp
|
1.8 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
DoublesQtQuery.cpp
|
1.6 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
DoubleQtQuery.cpp
|
1.4 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
BooleanQtQuery.cpp
|
1.4 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
AtomsQtQuery.cpp
|
1.6 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
AtomQtQuery.cpp
|
1.7 KB
|
852ea3
|
13 years
|
ankele |
further query merging (QtQuery added, handle() won't use param.set())
|
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