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 |
../
|
BondLengthTableAction.cpp
|
3.8 KB
|
b5b01e
|
11 years
|
FrederikHeber |
ActionState extracted into own header file, rename Action::state_ptr …
|
BondLengthTableAction.def
|
1.2 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
BondLengthTableAction.hpp
|
374 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
ElementDbAction.cpp
|
4.0 KB
|
b5b01e
|
11 years
|
FrederikHeber |
ActionState extracted into own header file, rename Action::state_ptr …
|
ElementDbAction.def
|
1.2 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
ElementDbAction.hpp
|
352 bytes
|
220cf64
|
13 years
|
FrederikHeber |
Added Undo/Redo capability to ElementDbAction.
- thanks to …
|
FastParsingAction.cpp
|
2.9 KB
|
b5b01e
|
11 years
|
FrederikHeber |
ActionState extracted into own header file, rename Action::state_ptr …
|
FastParsingAction.def
|
1.2 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
FastParsingAction.hpp
|
354 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
HelpAction.cpp
|
4.7 KB
|
b5b01e
|
11 years
|
FrederikHeber |
ActionState extracted into own header file, rename Action::state_ptr …
|
HelpAction.def
|
1.6 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
HelpAction.hpp
|
319 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
HelpRedistributeAction.cpp
|
3.1 KB
|
b5b01e
|
11 years
|
FrederikHeber |
ActionState extracted into own header file, rename Action::state_ptr …
|
HelpRedistributeAction.def
|
966 bytes
|
94d5ac6
|
12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
HelpRedistributeAction.hpp
|
380 bytes
|
94d5ac6
|
12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
VerboseAction.cpp
|
2.8 KB
|
b5b01e
|
11 years
|
FrederikHeber |
ActionState extracted into own header file, rename Action::state_ptr …
|
VerboseAction.def
|
1.1 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
VerboseAction.hpp
|
334 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
VersionAction.cpp
|
1.8 KB
|
b5b01e
|
11 years
|
FrederikHeber |
ActionState extracted into own header file, rename Action::state_ptr …
|
VersionAction.def
|
965 bytes
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
VersionAction.hpp
|
334 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
WarrantyAction.cpp
|
2.1 KB
|
b5b01e
|
11 years
|
FrederikHeber |
ActionState extracted into own header file, rename Action::state_ptr …
|
WarrantyAction.def
|
975 bytes
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
WarrantyAction.hpp
|
340 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
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