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
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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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Views
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3e93332
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13 years
|
FrederikHeber |
FIX: Corrected includes of GLWorldScene and GLWorldView.
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TextUI
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2c5765
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12 years
|
FrederikHeber |
Added Query for File_s_, i.e. vector of boost::filesystem::path.
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Query
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2c5765
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12 years
|
FrederikHeber |
Added Query for File_s_, i.e. vector of boost::filesystem::path.
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Qt4
|
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2c5765
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12 years
|
FrederikHeber |
Added Query for File_s_, i.e. vector of boost::filesystem::path.
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Menu
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a88452
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13 years
|
FrederikHeber |
Added new Action subfolder, menu, and CommandLine options map, and …
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CommandLineUI
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2c5765
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12 years
|
FrederikHeber |
Added Query for File_s_, i.e. vector of boost::filesystem::path.
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UIFactory.hpp
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2.3 KB
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56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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UIFactory.cpp
|
1.6 KB
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955b91
|
13 years
|
FrederikHeber |
FIX: Removed using namespace std in Vector.hpp.
- this caused some …
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Makefile.am
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15.7 KB
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2c5765
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12 years
|
FrederikHeber |
Added Query for File_s_, i.e. vector of boost::filesystem::path.
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MainWindow.hpp
|
328 bytes
|
42127c
|
13 years
|
FrederikHeber |
Extracted definition of MoleculeListClass and put into own header module.
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MainWindow.cpp
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504 bytes
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0aa122
|
13 years
|
FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Dialog.hpp
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17.3 KB
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2c5765
|
12 years
|
FrederikHeber |
Added Query for File_s_, i.e. vector of boost::filesystem::path.
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Dialog.cpp
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5.0 KB
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2c5765
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12 years
|
FrederikHeber |
Added Query for File_s_, i.e. vector of boost::filesystem::path.
|
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set to
040000
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