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
Candidate_v1.7.0
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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../
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Validators
|
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a2a2f7
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12 years
|
FrederikHeber |
Huge warning fix.
- fixed unused variables.
- fixed set but unused …
|
|
unittests
|
|
748fc7
|
11 years
|
FrederikHeber |
libMolecuilder is now a shared library.
- linking error …
|
|
ValueInterface.hpp
|
747 bytes
|
6440c6
|
13 years
|
FrederikHeber |
Reworked inheritance graph of Parameter and Value.
- Value now takes …
|
|
ValueAsString.hpp
|
609 bytes
|
b11f5e
|
13 years
|
FrederikHeber |
FIX: Value::setAsString(), ::getAsString take const ref.
- arg chain …
|
|
Value_string.hpp
|
514 bytes
|
b11f5e
|
13 years
|
FrederikHeber |
FIX: Value::setAsString(), ::getAsString take const ref.
- arg chain …
|
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Value_string.cpp
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1.4 KB
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b11f5e
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13 years
|
FrederikHeber |
FIX: Value::setAsString(), ::getAsString take const ref.
- arg chain …
|
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Value_impl.hpp
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6.2 KB
|
0d4168
|
11 years
|
FrederikHeber |
Allow setting of invalid values in Value class, Action::performCall() …
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Value.hpp
|
3.2 KB
|
57ba6f
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12 years
|
FrederikHeber |
FIX: Value's ConvertTo< std::vector<T> > did convert empty strings to …
|
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StreamOperators.hpp
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7.2 KB
|
16876c
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13 years
|
FrederikHeber |
Implemented all stream operator >> functions in StreamOperators.hpp.
…
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ParameterInterface.hpp
|
770 bytes
|
cf1d82
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13 years
|
FrederikHeber |
Parameter now contains Value, not inherits.
- added several function …
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ParameterExceptions.hpp
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1.1 KB
|
e45c1d
|
13 years
|
FrederikHeber |
Added ParameterExceptions, is caught by Dialog::checkAll() for the …
|
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Parameter_impl.hpp
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6.3 KB
|
0d4168
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11 years
|
FrederikHeber |
Allow setting of invalid values in Value class, Action::performCall() …
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|
Parameter.hpp
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2.3 KB
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cf1d82
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13 years
|
FrederikHeber |
Parameter now contains Value, not inherits.
- added several function …
|
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Makefile.am
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6.6 KB
|
748fc7
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11 years
|
FrederikHeber |
libMolecuilder is now a shared library.
- linking error …
|
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ContinuousValue_impl.hpp
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3.9 KB
|
e45c1d
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13 years
|
FrederikHeber |
Added ParameterExceptions, is caught by Dialog::checkAll() for the …
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ContinuousValue.hpp
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1.7 KB
|
e45c1d
|
13 years
|
FrederikHeber |
Added ParameterExceptions, is caught by Dialog::checkAll() for the …
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