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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AnyFillPredicate.cpp
|
1.6 KB
|
94d5ac6
|
12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
AnyFillPredicate.hpp
|
747 bytes
|
b00ab1
|
13 years
|
FrederikHeber |
AnyFillPredicate takes a specific boost::function as predicate.
- …
|
FillPredicate.cpp
|
2.2 KB
|
94d5ac6
|
12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
FillPredicate.hpp
|
952 bytes
|
9c2cb3
|
13 years
|
FrederikHeber |
FillPredicate is working base class, where FillPredicateBase.hpp is …
|
FillPredicate_impl.hpp
|
594 bytes
|
9c2cb3
|
13 years
|
FrederikHeber |
FillPredicate is working base class, where FillPredicateBase.hpp is …
|
FillPredicateBase.hpp
|
553 bytes
|
9c2cb3
|
13 years
|
FrederikHeber |
FillPredicate is working base class, where FillPredicateBase.hpp is …
|
IsInsideDomain_FillPredicate.cpp
|
1.4 KB
|
94d5ac6
|
12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
IsInsideDomain_FillPredicate.hpp
|
405 bytes
|
6499b1
|
13 years
|
FrederikHeber |
Added IsInsideDomain_FillPredicate.
- added unit test.
|
IsInsideSurface_FillPredicate.cpp
|
1.5 KB
|
94d5ac6
|
12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
IsInsideSurface_FillPredicate.hpp
|
490 bytes
|
7adddc
|
13 years
|
FrederikHeber |
Added IsInsideSurface_FillPredicate
- added unit test.
|
IsValidInDomain_FillPredicate.cpp
|
1.4 KB
|
94d5ac6
|
12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
IsValidInDomain_FillPredicate.hpp
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410 bytes
|
600a52
|
13 years
|
FrederikHeber |
Added IsInDomain_FillPredicate.
- added unit test.
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IsVoidNode_FillPredicate.cpp
|
3.1 KB
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94d5ac6
|
12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
IsVoidNode_FillPredicate.hpp
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439 bytes
|
baac79
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13 years
|
FrederikHeber |
Added IsVoidNode_FillPredicate.
- added unit test.
- added …
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Ops_FillPredicate.cpp
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1.8 KB
|
94d5ac6
|
12 years
|
FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
|
Ops_FillPredicate.hpp
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483 bytes
|
83fd7d
|
13 years
|
FrederikHeber |
Added Ops_FillPredicate.
- added unit test.
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Ops_FillPredicate_impl.hpp
|
1.4 KB
|
83fd7d
|
13 years
|
FrederikHeber |
Added Ops_FillPredicate.
- added unit test.
|
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set to
040000
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