Ignore:
Timestamp:
Aug 20, 2014, 1:10:07 PM (11 years ago)
Author:
Frederik Heber <heber@…>
Branches:
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, Candidate_v1.7.1, 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
Children:
4c9101
Parents:
ee4f2d (diff), 3a33e3 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
Message:

Merge branch 'StructuralOptimization' into stable

File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/Actions/Makefile.am

    ree4f2d rfc3aff  
    231231  Actions/FragmentationAction/MolecularDynamicsAction.cpp \
    232232  Actions/FragmentationAction/ParseFragmentJobsAction.cpp \
    233   Actions/FragmentationAction/StoreSaturatedFragmentAction.cpp
     233  Actions/FragmentationAction/StoreSaturatedFragmentAction.cpp \
     234  Actions/FragmentationAction/StructuralOptimizationAction.cpp
    234235FRAGMENTATIONACTIONHEADER = \
    235236  Actions/FragmentationAction/AnalyseFragmentationResultsAction.hpp \
     
    239240  Actions/FragmentationAction/MolecularDynamicsAction.hpp \
    240241  Actions/FragmentationAction/ParseFragmentJobsAction.hpp \
    241   Actions/FragmentationAction/StoreSaturatedFragmentAction.hpp
     242  Actions/FragmentationAction/StoreSaturatedFragmentAction.hpp \
     243  Actions/FragmentationAction/StructuralOptimizationAction.hpp
    242244FRAGMENTATIONACTIONDEFS = \
    243245  Actions/FragmentationAction/AnalyseFragmentationResultsAction.def \
     
    247249  Actions/FragmentationAction/MolecularDynamicsAction.def \
    248250  Actions/FragmentationAction/ParseFragmentJobsAction.def \
    249   Actions/FragmentationAction/StoreSaturatedFragmentAction.def
     251  Actions/FragmentationAction/StoreSaturatedFragmentAction.def \
     252  Actions/FragmentationAction/StructuralOptimizationAction.def
    250253
    251254GRAPHACTIONSOURCE = \
     
    278281  Actions/MoleculeAction/FillWithMoleculeAction.cpp \
    279282  Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp \
     283  Actions/MoleculeAction/ForceAnnealingAction.cpp \
    280284  Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp \
    281285  Actions/MoleculeAction/LoadAction.cpp \
     
    296300  Actions/MoleculeAction/FillWithMoleculeAction.hpp \
    297301  Actions/MoleculeAction/FillVoidWithMoleculeAction.hpp \
     302  Actions/MoleculeAction/ForceAnnealingAction.hpp \
    298303  Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp \
    299304  Actions/MoleculeAction/LoadAction.hpp \
     
    314319  Actions/MoleculeAction/FillWithMoleculeAction.def \
    315320  Actions/MoleculeAction/FillVoidWithMoleculeAction.def \
     321  Actions/MoleculeAction/ForceAnnealingAction.def \
    316322  Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def \
    317323  Actions/MoleculeAction/LoadAction.def \
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