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
      
      
        
          | Last change
 on this file since 301bc2 was             6ac7ee, checked in by Frederik Heber <heber@…>, 17 years ago | 
        
          | 
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
 
Conflicts:
 
molecuilder/src/boundary.cppmolecuilder/src/boundary.hpp
 molecuilder/src/builder.cpp
 molecuilder/src/linkedcell.cpp
 molecuilder/src/linkedcell.hpp
 molecuilder/src/vector.cpp
 molecuilder/src/vector.hpp
 util/src/NanoCreator.c
 
 
Basically, this resulted from a lot of conversions two from spaces to one tab, which is my standard indentation. The mess was caused by eclipse auto-indenting. And in espack2:ConcaveHull was the new stuff, so all from ConcaveHull was replaced in case of doubt.Additionally, vector had ofstream << operator instead ostream << ...
 
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          | 
              
Property                 mode
 set to                 100644 | 
        
          | File size:
            1.5 KB | 
      
      
| Line |  | 
|---|
| 1 | # AC_SET_COMPILER_FLAGS(optimization, debugging, warnings) | 
|---|
| 2 | #---------------------------------------------------------------- | 
|---|
| 3 | AC_DEFUN([AC_SET_COMPILER_FLAGS],[ | 
|---|
| 4 | AC_MSG_NOTICE([Using AC@&t@_SET_COMPILER_FLAGS macro]) | 
|---|
| 5 |  | 
|---|
| 6 | dnl optimization | 
|---|
| 7 | if test ! x"$1" = xno; then | 
|---|
| 8 | if test x"$2" = xno; then | 
|---|
| 9 | if test x"$1" = xyes; then | 
|---|
| 10 | optimization="-O2" | 
|---|
| 11 | else | 
|---|
| 12 | optimization="-O$1" | 
|---|
| 13 | fi | 
|---|
| 14 | fi | 
|---|
| 15 | fi | 
|---|
| 16 | dnl debugging info | 
|---|
| 17 | if ! test x"$2" = xno; then | 
|---|
| 18 | if test x"$2" = xyes; then | 
|---|
| 19 | debugging="-g3" | 
|---|
| 20 | else | 
|---|
| 21 | debugging="-g$2" | 
|---|
| 22 | fi | 
|---|
| 23 | AC_DEFINE(HAVE_DEBUG,1, ["Output debugging info"]) | 
|---|
| 24 | AC_SUBST(HAVE_DEBUG) | 
|---|
| 25 | fi | 
|---|
| 26 |  | 
|---|
| 27 | dnl enable all warnings | 
|---|
| 28 | if test x"$3" = xsome; then | 
|---|
| 29 | dnl even without debugging we want some minimal info of something's utterly wrong | 
|---|
| 30 | Cwarnings="-Wall" | 
|---|
| 31 | CXXwarnings="-Wall" | 
|---|
| 32 | fi | 
|---|
| 33 | if test x"$3" = xfull; then | 
|---|
| 34 | Cwarnings="-Wall -W -Wstrict-prototypes -Wmissing-prototypes -Wold-style-definition -Wshadow -Wpointer-arith -Wcast-align -Wcast-qual -Wwrite-strings -Wredundant-decls -Wnested-externs -Wmissing-noreturn -Wformat-security -Wmissing-format-attribute -Winit-self" | 
|---|
| 35 | CXXwarnings="-Wall -W -Wshadow -Wpointer-arith -Wcast-align -Wcast-qual -Wwrite-strings -Wredundant-decls -Wmissing-noreturn -Wformat-security -Wmissing-format-attribute -Winit-self" | 
|---|
| 36 | fi | 
|---|
| 37 | if test x"$3" = xnone; then | 
|---|
| 38 | unset Cwarnings | 
|---|
| 39 | unset CXXwarnings | 
|---|
| 40 | else | 
|---|
| 41 | AC_DEFINE(HAVE_WARNINGS,$enable_warnings, ["Output compiler warnings"]) | 
|---|
| 42 | fi | 
|---|
| 43 |  | 
|---|
| 44 | # finally, apply whatever was set | 
|---|
| 45 | CFLAGS="$CFLAGS $debugging $optimization $Cwarnings" | 
|---|
| 46 | CXXFLAGS="$CXXFLAGS $debugging $optimization $CXXwarnings" | 
|---|
| 47 |  | 
|---|
| 48 | ]) | 
|---|
       
      
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