Changeset d9a032

Timestamp:

Oct 25, 2011, 12:08:02 PM (13 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, 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:

a03d25

Parents:

ba1823

git-author:

Frederik Heber <heber@…> (10/18/11 11:52:27)

git-committer:

Frederik Heber <heber@…> (10/25/11 12:08:02)

Message:

Initiated own conveniance library for folder src/Fragmentation.

• Makefile.am included in src/Makefile.am, library included in UIElements/Makefile.am.

Location:

src

Files:

• Fragmentation/Makefile.am (modified) (3 diffs)
• Makefile.am (modified) (3 diffs)

src/Fragmentation/Makefile.am

@@ -5 +5 @@
         Fragmentation/EnergyMatrix.cpp \
         Fragmentation/ForceMatrix.cpp \
+        Fragmentation/fragmentation_helpers.cpp \
         Fragmentation/helpers.cpp \
         Fragmentation/HessianMatrix.cpp \
@@ -13 +14 @@
         Fragmentation/defs.hpp \
         Fragmentation/EnergyMatrix.hpp \
+        Fragmentation/fragmentation_helpers.hpp \
         Fragmentation/ForceMatrix.hpp \
         Fragmentation/helpers.hpp \
@@ -38 +40 @@
 ## library file (.so).  The library ABI version is defined in configure.ac, so
 ## that all version information is kept in one place.
-libMolecuilderFragmentation_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
+#libMolecuilderFragmentation_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
 
 ## The generated configuration header is installed in its own subdirectory of

src/Makefile.am

@@ -10 +10 @@
 include Analysis/Makefile.am
 include Element/Makefile.am
+include Fragmentation/Makefile.am
 include Graph/Makefile.am
 include Helpers/Makefile.am
-include Fragmentation/Makefile.am
 include Parser/Makefile.am
 include RandomNumbers/Makefile.am
@@ -175 +175 @@
   moleculelist.cpp \
   molecule.cpp \
-  Fragmentation/fragmentation_helpers.cpp \
   molecule_fragmentation.cpp \
   molecule_geometry.cpp \
@@ -199 +198 @@
   graph.hpp \
   linkedcell.hpp \
-  Fragmentation/fragmentation_helpers.hpp \
   molecule.hpp \
   ThermoStatContainer.hpp \