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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GLMoleculeObject.cpp
|
11.1 KB
|
f47efd4
|
10 years
|
FrederikHeber |
FIX: Bond cylinders were wrongly scaled and too long with degree …
|
|
GLMoleculeObject.hpp
|
3.8 KB
|
7b93f9
|
10 years
|
FrederikHeber |
Added MeshFreeType to GLMoleculeObject.
|
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GLMoleculeObject_atom.cpp
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15.0 KB
|
8d5fbf1
|
9 years
|
FrederikHeber |
GLMoleculeObject_atom, _bond, _molecule all use …
|
|
GLMoleculeObject_atom.hpp
|
5.3 KB
|
8d5fbf1
|
9 years
|
FrederikHeber |
GLMoleculeObject_atom, _bond, _molecule all use …
|
|
GLMoleculeObject_bond.cpp
|
19.5 KB
|
8d5fbf1
|
9 years
|
FrederikHeber |
GLMoleculeObject_atom, _bond, _molecule all use …
|
|
GLMoleculeObject_bond.hpp
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7.5 KB
|
8d5fbf1
|
9 years
|
FrederikHeber |
GLMoleculeObject_atom, _bond, _molecule all use …
|
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GLMoleculeObject_molecule.cpp
|
30.7 KB
|
0f7ffe
|
9 years
|
FrederikHeber |
Changed connections between GLWorldScene, GLWorldView and …
|
|
GLMoleculeObject_molecule.hpp
|
7.0 KB
|
8d5fbf1
|
9 years
|
FrederikHeber |
GLMoleculeObject_atom, _bond, _molecule all use …
|
|
GLMoleculeObject_shape.cpp
|
6.0 KB
|
07136a
|
9 years
|
FrederikHeber |
FIX: Fixing display of shapes in GLWorldView.
- we propagate shape …
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GLMoleculeObject_shape.hpp
|
870 bytes
|
07136a
|
9 years
|
FrederikHeber |
FIX: Fixing display of shapes in GLWorldView.
- we propagate shape …
|
|
GLWorldScene.cpp
|
22.3 KB
|
0f7ffe
|
9 years
|
FrederikHeber |
Changed connections between GLWorldScene, GLWorldView and …
|
|
GLWorldScene.hpp
|
4.0 KB
|
15c8a9
|
9 years
|
FrederikHeber |
Added QtInstanceInformationBoard that handles ObservedValues through …
|
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GLWorldView.cpp
|
24.9 KB
|
0f7ffe
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9 years
|
FrederikHeber |
Changed connections between GLWorldScene, GLWorldView and …
|
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GLWorldView.hpp
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3.2 KB
|
0f7ffe
|
9 years
|
FrederikHeber |
Changed connections between GLWorldScene, GLWorldView and …
|
|
ObservedValue_UpdateAtoms.hpp
|
2.2 KB
|
026bef
|
9 years
|
FrederikHeber |
Changed GLMoleculeObject_...:countSubjectKilled() to taking id …
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ObservedValue_wCallback.hpp
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3.5 KB
|
026bef
|
9 years
|
FrederikHeber |
Changed GLMoleculeObject_...:countSubjectKilled() to taking id …
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