Changeset 75ac0c
- Timestamp:
- Mar 18, 2010, 3:06:30 PM (15 years ago)
- 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:
- f2bb0f
- Parents:
- d3347e
- git-author:
- Tillmann Crueger <crueger@…> (03/18/10 14:48:20)
- git-committer:
- Tillmann Crueger <crueger@…> (03/18/10 15:06:30)
- Location:
- src
- Files:
-
- 2 added
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Makefile.am
rd3347e r75ac0c 33 33 Descriptors/AtomTypeDescriptor.cpp \ 34 34 Descriptors/MoleculeDescriptor.cpp \ 35 Descriptors/MoleculeIdDescriptor.cpp 35 Descriptors/MoleculeIdDescriptor.cpp 36 36 37 37 38 DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \ 38 39 Descriptors/AtomIdDescriptor.hpp \ … … 41 42 Descriptors/MoleculeIdDescriptor.hpp 42 43 43 SOURCE = ${ANALYSISSOURCE} ${ATOMSOURCE} ${PATTERNSOURCE} ${UISOURCE} ${DESCRIPTORSOURCE} ${LEGACYSOURCE} bond.cpp bondgraph.cpp boundary.cpp config.cpp element.cpp ellipsoid.cpp errorlogger.cpp graph.cpp helpers.cpp info.cpp leastsquaremin.cpp linkedcell.cpp log.cpp logger.cpp memoryusageobserver.cpp moleculelist.cpp molecule.cpp molecule_dynamics.cpp molecule_fragmentation.cpp molecule_geometry.cpp molecule_graph.cpp molecule_pointcloud.cpp parser.cpp periodentafel.cpp tesselation.cpp tesselationhelpers.cpp vector.cpp verbose.cpp World.cpp WorldIterators.cpp 44 SOURCE = ${ANALYSISSOURCE} \ 45 ${ATOMSOURCE} \ 46 ${PATTERNSOURCE} \ 47 ${UISOURCE} \ 48 ${DESCRIPTORSOURCE} \ 49 ${LEGACYSOURCE} \ 50 bond.cpp \ 51 bondgraph.cpp \ 52 boundary.cpp \ 53 config.cpp \ 54 element.cpp \ 55 ellipsoid.cpp \ 56 errorlogger.cpp \ 57 graph.cpp \ 58 helpers.cpp \ 59 Helpers/Assert.cpp \ 60 info.cpp \ 61 leastsquaremin.cpp \ 62 linkedcell.cpp \ 63 log.cpp \ 64 logger.cpp \ 65 memoryusageobserver.cpp \ 66 moleculelist.cpp \ 67 molecule.cpp \ 68 molecule_dynamics.cpp \ 69 molecule_fragmentation.cpp \ 70 molecule_geometry.cpp \ 71 molecule_graph.cpp \ 72 molecule_pointcloud.cpp \ 73 parser.cpp \ 74 periodentafel.cpp \ 75 tesselation.cpp \ 76 tesselationhelpers.cpp \ 77 vector.cpp \ 78 verbose.cpp \ 79 World.cpp \ 80 WorldIterators.cpp 81 44 82 HEADER = ${ANALYSISHEADER} ${ATOMHEADER} ${PATTERNHEADER} ${UIHEADER} ${DESCRIPTORHEADER} ${LEGACYHEADER} bond.hpp bondgraph.hpp boundary.hpp config.hpp defs.hpp element.hpp ellipsoid.hpp errorlogger.hpp graph.hpp helpers.hpp info.hpp leastsquaremin.hpp linkedcell.hpp lists.hpp log.hpp logger.hpp memoryallocator.hpp memoryusageobserver.hpp molecule.hpp molecule_template.hpp parser.hpp periodentafel.hpp stackclass.hpp tesselation.hpp tesselationhelpers.hpp vector.hpp verbose.hpp World.hpp 45 83 -
src/builder.cpp
rd3347e r75ac0c 2179 2179 char *ConfigFileName = NULL; 2180 2180 int j; 2181 2181 2182 setVerbosity(0); 2182 2183 /* structure of ParseCommandLineOptions will be refactored later */
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