Action_Thermostats
Add_AtomRandomPerturbation
Add_FitFragmentPartialChargesAction
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.5.4
Candidate_v1.6.0
Candidate_v1.6.1
Candidate_v1.7.0
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
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_ChargeSampling_PBC
Fix_ChronosMutex
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ForceAnnealing
Fix_IndependentFragmentGrids
Fix_ParseParticles
Fix_ParseParticles_split_forward_backward_Actions
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids
IndependentFragmentGrids_IndividualZeroInstances
IndependentFragmentGrids_IntegrationTest
IndependentFragmentGrids_Sole_NN_Calculation
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
SaturateAtoms_findBestMatching
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TrajectoryDependenant_MaxOrder
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since 7e81ca was 996ef1, checked in by Frederik Heber <heber@…>, 10 years ago |
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FIX: Added version to debian changelog.
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set to
100644
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1.4 KB
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| Rev | Line | |
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| [996ef1] | 1 | molecuilder (1.5.3-1) UNRELEASED; urgency=low
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| 2 |
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| 3 | * QtGui now crashes only in 1-2% of all regression tests (new record).
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| 4 | * we copy all information regarding visual entities and regaring the
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| 5 | displayed lists via QtObserved... instances or via central ..Observer
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| 6 | entities.
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| 7 |
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| 8 | -- Frederik Heber <heber@molecuilder.com> Sun, 25 Apr 2016 09:11:24 +0200
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| 9 |
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| 10 | molecuilder (1.5.2-1) UNRELEASED; urgency=low
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| 11 |
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| 12 | * Introduced QtObservedInstanceBoard as clean interface between World and QtGui.
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| 13 | * Bugfix to FillRegularGrid.
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| 14 | * FitParticleCharge -> FitPartialCharge.
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| 15 |
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| 16 | -- Frederik Heber <heber@molecuilder.com> Sun, 03 Mar 2016 13:48:57 +0100
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| 17 |
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| [69a420] | 18 | molecuilder (1.5.1-1) UNRELEASED; urgency=low
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| 19 |
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| 20 | * Incorporated libcodepatterns rename and other fixes for debian packaging.
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| 21 | * More efficient bounding box in molecule, effectively O(log N).
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| 22 | * Enhanced hbond distances with more values and consolidated from
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| 23 | optimization calculations.
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| 24 | * VMG forces now are also working for the long-range part.
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| 25 | * Interdistance now combines couples of fragments till a given order.
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| 26 | * Smearing of electronic charge distributions greatly improves electronic
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| 27 | long-range component.
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| 28 |
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| 29 | -- Frederik Heber <heber@molecuilder.com> Sun, 06 Feb 2016 23:16:00 +0100
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| 30 |
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| [d68514] | 31 | molecuilder (1.5.0-1) UNRELEASED; urgency=low
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| 32 |
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| 33 | * Initial Release.
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| 34 | * This is my first Debian package.
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| 35 |
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| [3c6b40] | 36 | -- Frederik Heber <heber@molecuilder.com> Sun, 09 Aug 2015 21:37:00 +0100
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