# # ChangeLog for src/Makefile.am # # Generated by Trac 1.4.4 # Dec 27, 2024, 10:07:42 PM Wed, 26 Sep 2012 17:24:47 GMT Frederik Heber [eb0d77] * src/Actions/unittests/Makefile.am (modified) * src/Analysis/unittests/Makefile.am (modified) * src/Atom/unittests/Makefile.am (modified) * src/Descriptors/unittests/Makefile.am (modified) * src/Filling/unittests/Makefile.am (modified) * src/Graph/unittests/Makefile.am (modified) * src/LinkedCell/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/Parser/unittests/Makefile.am (modified) * src/Tesselation/unittests/Makefile.am (modified) * src/UIElements/CommandLineUI/unittests/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) FIX: Shared library libMolecuilderJobs needs to be given explicitly ... Wed, 26 Sep 2012 17:24:47 GMT Frederik Heber [158c3d9] * src/Makefile.am (modified) FIX: Removed out-dated libmenu.a in src/Makefile.am. Wed, 11 Jul 2012 13:02:17 GMT Frederik Heber [bd81f9] * configure.ac (modified) * m4/ax_jobmarket.m4 (added) * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (added) * src/Actions/FragmentationAction/FragmentationAutomationAction.def (added) * src/Actions/FragmentationAction/FragmentationAutomationAction.hpp (added) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * src/Actions/unittests/stubs/DummyUI.hpp (modified) * src/Atom/atom_observable.cpp (modified) * src/ControllerOptions_MPQCCommandJob.cpp (added) * src/ControllerOptions_MPQCCommandJob.hpp (added) * src/Fragmentation/MatrixContainer.cpp (modified) * src/Fragmentation/MatrixContainer.hpp (modified) * src/Jobs/MPQCCommandJob.cpp (added) * src/Jobs/MPQCCommandJob.hpp (added) * src/Jobs/MPQCCommandJob_MPQCData.cpp (added) * src/Jobs/MPQCCommandJob_MPQCData.hpp (added) * src/Jobs/Makefile.am (added) * src/Jobs/unittests/MPQCCommandJobUnitTest.cpp (added) * src/Jobs/unittests/MPQCCommandJobUnitTest.hpp (added) * src/Jobs/unittests/MPQCDataUnitTest.cpp (added) * src/Jobs/unittests/MPQCDataUnitTest.hpp (added) * src/Jobs/unittests/Makefile.am (added) * src/Makefile.am (modified) * src/Server.cpp (added) * src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.cpp (modified) * src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.hpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified) * src/UIElements/CommandLineUI/Query/CommandLineQuery.hpp (modified) * src/UIElements/CommandLineUI/Query/FilesCommandLineQuery.cpp (added) * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Qt4/QtDialog.cpp (modified) * src/UIElements/Qt4/QtDialog.hpp (modified) * src/UIElements/Qt4/Query/FilesQtQuery.cpp (added) * src/UIElements/Qt4/Query/QtQuery.hpp (modified) * src/UIElements/Query/FilesQuery.cpp (added) * src/UIElements/TextUI/Query/FileTextQuery.cpp (modified) * src/UIElements/TextUI/Query/FilesTextQuery.cpp (added) * src/UIElements/TextUI/Query/TextQuery.hpp (modified) * src/UIElements/TextUI/TextDialog.cpp (modified) * src/UIElements/TextUI/TextDialog.hpp (modified) * src/controller.cpp (added) * src/controller_AddOn_MPQCCommandJob.cpp (added) * src/controller_MPQCCommandJob.cpp (added) * src/controller_MPQCCommandJob.hpp (added) * src/poolworker.cpp (added) * src/unittests/Makefile.am (modified) * tests/CodeChecks/Makefile.am (modified) * tests/CodeChecks/testsuite-globallistofactions_hpp.at (modified) * tests/Fragmentations/Makefile.am (modified) * tests/JobMarket/Makefile.am (added) * tests/JobMarket/atlocal.in (added) * tests/JobMarket/molecuilder.in (added) * tests/JobMarket/mpqc.cpp (added) * tests/JobMarket/pre/BondFragment00.in (added) * tests/JobMarket/pre/BondFragment00.out (added) * tests/JobMarket/pre/BondFragment01.out (added) * tests/JobMarket/pre/BondFragment02.out (added) * tests/JobMarket/pre/BondFragment03.out (added) * tests/JobMarket/pre/BondFragment04.out (added) * tests/JobMarket/pre/BondFragment05.out (added) * tests/JobMarket/pre/BondFragment06.out (added) * tests/JobMarket/pre/BondFragmentAdjacency.dat (added) * tests/JobMarket/pre/BondFragmentForces-Factors.dat (added) * tests/JobMarket/pre/BondFragmentKeySets.dat (added) * tests/JobMarket/testsuite-jobmarket-molecuilderrun.at (added) * tests/JobMarket/testsuite-jobmarket-mpqc-jobs.at (added) * tests/JobMarket/testsuite-jobmarket-stand-in-mpqc.at (added) * tests/JobMarket/testsuite-jobmarket.at (added) * tests/JobMarket/testsuite.at (added) * tests/Makefile.am (modified) * tests/Python/AllActions/options.dat (modified) * tests/Python/Makefile.am (modified) * tests/Tesselations/Makefile.am (modified) * tests/regression/Fragmentation/testsuite-fragmentation.at (modified) * tests/regression/Makefile.am (modified) Merge branch 'Candidate_v1.3.0' into stable Conflicts: ... Tue, 10 Jul 2012 15:41:00 GMT Frederik Heber [004d5c] * JobMarket/AUTHORS (deleted) * JobMarket/COPYING (deleted) * JobMarket/ChangeLog (deleted) * JobMarket/INSTALL (deleted) * JobMarket/JobMarket-debug.pc.in (deleted) * JobMarket/JobMarket.pc.in (deleted) * JobMarket/Makefile.am (deleted) * JobMarket/NEWS (deleted) * JobMarket/README (deleted) * JobMarket/bootstrap (deleted) * JobMarket/build-aux/README (deleted) * JobMarket/configure.ac (deleted) * JobMarket/configure.scan (deleted) * JobMarket/doc/Doxyfile (deleted) * JobMarket/doc/Makefile.am (deleted) * JobMarket/doc/am_doxygen_include.am (deleted) * JobMarket/libJobMarket_config.h.in (deleted) * JobMarket/m4 (deleted) * JobMarket/src/JobMarket/Connection.hpp (deleted) * JobMarket/src/JobMarket/Controller/ControllerCommand.hpp (deleted) * JobMarket/src/JobMarket/Controller/ControllerCommandRegistry.cpp (deleted) * JobMarket/src/JobMarket/Controller/ControllerCommandRegistry.hpp (deleted) * JobMarket/src/JobMarket/Controller/ControllerOptions.cpp (deleted) * JobMarket/src/JobMarket/Controller/ControllerOptions.hpp (deleted) * JobMarket/src/JobMarket/Controller/ControllerOptions_SystemCommandJob.cpp (deleted) * JobMarket/src/JobMarket/Controller/ControllerOptions_SystemCommandJob.hpp (deleted) * JobMarket/src/JobMarket/Controller/FragmentController.cpp (deleted) * JobMarket/src/JobMarket/Controller/FragmentController.hpp (deleted) * JobMarket/src/JobMarket/Controller/controller.cpp (deleted) * JobMarket/src/JobMarket/Controller/controller_AddOn.hpp (deleted) * JobMarket/src/JobMarket/Controller/controller_AddOn_SystemCommandJob.cpp (deleted) * JobMarket/src/JobMarket/Controller/controller_SystemCommandJob.cpp (deleted) * JobMarket/src/JobMarket/Controller/controller_SystemCommandJob.hpp (deleted) * JobMarket/src/JobMarket/Controller/controller_main.cpp (deleted) * JobMarket/src/JobMarket/Controller/controller_main.hpp (deleted) * JobMarket/src/JobMarket/ControllerChoices.hpp (deleted) * JobMarket/src/JobMarket/DefaultOptions.cpp (deleted) * JobMarket/src/JobMarket/DefaultOptions.hpp (deleted) * JobMarket/src/JobMarket/ExitflagContainer.hpp (deleted) * JobMarket/src/JobMarket/FragmentQueue.cpp (deleted) * JobMarket/src/JobMarket/FragmentQueue.hpp (deleted) * JobMarket/src/JobMarket/FragmentScheduler.cpp (deleted) * JobMarket/src/JobMarket/FragmentScheduler.hpp (deleted) * JobMarket/src/JobMarket/GlobalJobId.cpp (deleted) * JobMarket/src/JobMarket/GlobalJobId.hpp (deleted) * JobMarket/src/JobMarket/JobId.cpp (deleted) * JobMarket/src/JobMarket/JobId.hpp (deleted) * JobMarket/src/JobMarket/Jobs/FragmentJob.cpp (deleted) * JobMarket/src/JobMarket/Jobs/FragmentJob.hpp (deleted) * JobMarket/src/JobMarket/Jobs/SystemCommandJob.cpp (deleted) * JobMarket/src/JobMarket/Jobs/SystemCommandJob.hpp (deleted) * JobMarket/src/JobMarket/Listener.cpp (deleted) * JobMarket/src/JobMarket/Listener.hpp (deleted) * JobMarket/src/JobMarket/Makefile.am (deleted) * JobMarket/src/JobMarket/Operations/AsyncOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/AsyncOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/CheckResultsOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/CheckResultsOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/GetNextJobIdOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/GetNextJobIdOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/ReceiveResultsOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/ReceiveResultsOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/RemoveAllWorkerOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/RemoveAllWorkerOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/SendJobsOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/SendJobsOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/ShutdownOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Controllers/ShutdownOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Operation.hpp (deleted) * JobMarket/src/JobMarket/Operations/OperationQueue.cpp (deleted) * JobMarket/src/JobMarket/Operations/OperationQueue.hpp (deleted) * JobMarket/src/JobMarket/Operations/OperationRegistry.cpp (deleted) * JobMarket/src/JobMarket/Operations/OperationRegistry.hpp (deleted) * JobMarket/src/JobMarket/Operations/Servers/SendJobToWorkerOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Servers/SendJobToWorkerOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Servers/ShutdownWorkerOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Servers/ShutdownWorkerOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/SyncOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/SyncOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Workers/EnrollInPoolOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Workers/EnrollInPoolOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Workers/ObtainJobOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Workers/ObtainJobOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Workers/RemoveFromPoolOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Workers/RemoveFromPoolOperation.hpp (deleted) * JobMarket/src/JobMarket/Operations/Workers/SubmitResultOperation.cpp (deleted) * JobMarket/src/JobMarket/Operations/Workers/SubmitResultOperation.hpp (deleted) * JobMarket/src/JobMarket/Pool/PoolWorker.cpp (deleted) * JobMarket/src/JobMarket/Pool/PoolWorker.hpp (deleted) * JobMarket/src/JobMarket/Pool/WorkerPool.cpp (deleted) * JobMarket/src/JobMarket/Pool/WorkerPool.hpp (deleted) * JobMarket/src/JobMarket/Results/FragmentResult.cpp (deleted) * JobMarket/src/JobMarket/Results/FragmentResult.hpp (deleted) * JobMarket/src/JobMarket/ServerOptions.cpp (deleted) * JobMarket/src/JobMarket/ServerOptions.hpp (deleted) * JobMarket/src/JobMarket/SignalHandler.cpp (deleted) * JobMarket/src/JobMarket/SignalHandler.hpp (deleted) * JobMarket/src/JobMarket/SignalOptions.cpp (deleted) * JobMarket/src/JobMarket/SignalOptions.hpp (deleted) * JobMarket/src/JobMarket/WorkerAddress.cpp (deleted) * JobMarket/src/JobMarket/WorkerAddress.hpp (deleted) * JobMarket/src/JobMarket/WorkerChoices.hpp (deleted) * JobMarket/src/JobMarket/WorkerOptions.cpp (deleted) * JobMarket/src/JobMarket/WorkerOptions.hpp (deleted) * JobMarket/src/JobMarket/atexit.cpp (deleted) * JobMarket/src/JobMarket/atexit.hpp (deleted) * JobMarket/src/JobMarket/poolworker.cpp (deleted) * JobMarket/src/JobMarket/poolworker_main.cpp (deleted) * JobMarket/src/JobMarket/poolworker_main.hpp (deleted) * JobMarket/src/JobMarket/server.cpp (deleted) * JobMarket/src/JobMarket/server_main.cpp (deleted) * JobMarket/src/JobMarket/server_main.hpp (deleted) * JobMarket/src/JobMarket/types.hpp (deleted) * JobMarket/src/documentation/Makefile.am (deleted) * JobMarket/src/documentation/jobmarket.dox (deleted) * JobMarket/src/documentation/mainpage.dox (deleted) * JobMarket/src/unittests/FragmentJobUnitTest.cpp (deleted) * JobMarket/src/unittests/FragmentJobUnitTest.hpp (deleted) * JobMarket/src/unittests/FragmentQueueUnitTest.cpp (deleted) * JobMarket/src/unittests/FragmentQueueUnitTest.hpp (deleted) * JobMarket/src/unittests/FragmentResultUnitTest.cpp (deleted) * JobMarket/src/unittests/FragmentResultUnitTest.hpp (deleted) * JobMarket/src/unittests/Makefile.am (deleted) * JobMarket/src/unittests/OperationQueueUnitTest.cpp (deleted) * JobMarket/src/unittests/OperationQueueUnitTest.hpp (deleted) * JobMarket/src/unittests/SystemCommandJobUnitTest.cpp (deleted) * JobMarket/src/unittests/SystemCommandJobUnitTest.hpp (deleted) * JobMarket/src/unittests/UnitTestMain.cpp (deleted) * JobMarket/src/unittests/WorkerAddressUnitTest.cpp (deleted) * JobMarket/src/unittests/WorkerAddressUnitTest.hpp (deleted) * JobMarket/src/unittests/WorkerPoolUnitTest.cpp (deleted) * JobMarket/src/unittests/WorkerPoolUnitTest.hpp (deleted) * JobMarket/src/unittests/stubs/AsyncOperationStub.hpp (deleted) * JobMarket/src/unittests/stubs/FragmentJobStub.cpp (deleted) * JobMarket/src/unittests/stubs/FragmentJobStub.hpp (deleted) * JobMarket/src/unittests/stubs/FragmentResultStub.cpp (deleted) * JobMarket/src/unittests/stubs/ObserverStub.cpp (deleted) * JobMarket/src/unittests/stubs/ObserverStub.hpp (deleted) * JobMarket/tests/CodeChecks/Makefile.am (deleted) * JobMarket/tests/CodeChecks/atlocal.in (deleted) * JobMarket/tests/CodeChecks/testsuite-config_h.at (deleted) * JobMarket/tests/CodeChecks/testsuite-date_in_dox.at (deleted) * JobMarket/tests/CodeChecks/testsuite-header-dist.at (deleted) * JobMarket/tests/CodeChecks/testsuite-memdebug.at (deleted) * JobMarket/tests/CodeChecks/testsuite-project-disclaimer.at (deleted) * JobMarket/tests/Makefile.am (deleted) * JobMarket/tests/regression/atlocal.in (deleted) * JobMarket/tests/regression/testsuite-addingjobs.at (deleted) * JobMarket/tests/regression/testsuite-checkstate.at (deleted) * JobMarket/tests/regression/testsuite-completerun.at (deleted) * JobMarket/tests/regression/testsuite-enrollinpool.at (deleted) * JobMarket/tests/regression/testsuite-getresults.at (deleted) * JobMarket/tests/regression/testsuite-resubmitjobs.at (deleted) * JobMarket/tests/regression/testsuite-server-shutdown.at (deleted) * JobMarket/tests/regression/testsuite-server-worker.at (deleted) * JobMarket/tests/regression/testsuite.at (deleted) * Makefile.am (modified) * configure.ac (modified) * m4/ax_jobmarket.m4 (added) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * src/Jobs/MPQCCommandJob.cpp (modified) * src/Jobs/MPQCCommandJob_MPQCData.cpp (modified) * src/Jobs/MPQCCommandJob_MPQCData.hpp (modified) * src/Jobs/Makefile.am (modified) * src/Jobs/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/Server.cpp (modified) * src/UIElements/Makefile.am (modified) * src/controller_MPQCCommandJob.cpp (modified) * src/poolworker.cpp (modified) * src/unittests/Makefile.am (modified) * tests/CodeChecks/testsuite-globallistofactions_hpp.at (modified) * tests/JobMarket/Makefile.am (moved) * tests/JobMarket/atlocal.in (added) * tests/JobMarket/molecuilder.in (added) * tests/JobMarket/mpqc.cpp (moved) * tests/JobMarket/pre/BondFragment00.in (moved) * tests/JobMarket/pre/BondFragment00.out (moved) * tests/JobMarket/pre/BondFragment01.out (moved) * tests/JobMarket/pre/BondFragment02.out (moved) * tests/JobMarket/pre/BondFragment03.out (moved) * tests/JobMarket/pre/BondFragment04.out (moved) * tests/JobMarket/pre/BondFragment05.out (moved) * tests/JobMarket/pre/BondFragment06.out (moved) * tests/JobMarket/pre/BondFragmentAdjacency.dat (moved) * tests/JobMarket/pre/BondFragmentForces-Factors.dat (moved) * tests/JobMarket/pre/BondFragmentKeySets.dat (moved) * tests/JobMarket/testsuite-jobmarket-molecuilderrun.at (moved) * tests/JobMarket/testsuite-jobmarket-mpqc-jobs.at (moved) * tests/JobMarket/testsuite-jobmarket-stand-in-mpqc.at (moved) * tests/JobMarket/testsuite-jobmarket.at (added) * tests/JobMarket/testsuite.at (moved) * tests/Makefile.am (modified) * tests/regression/Fragmentation/testsuite-fragmentation.at (modified) * tests/regression/Makefile.am (modified) Removed JobMarket as it is now in its own repository. - added ... Fri, 06 Jul 2012 10:18:47 GMT Frederik Heber [7da5cd] * JobMarket/configure.ac (modified) * JobMarket/src/JobMarket/Controller/ControllerCommand.hpp (moved) * JobMarket/src/JobMarket/Controller/ControllerCommandRegistry.cpp (moved) * JobMarket/src/JobMarket/Controller/ControllerCommandRegistry.hpp (moved) * JobMarket/src/JobMarket/Controller/ControllerOptions.cpp (moved) * JobMarket/src/JobMarket/Controller/ControllerOptions.hpp (moved) * JobMarket/src/JobMarket/Controller/ControllerOptions_SystemCommandJob.cpp (moved) * JobMarket/src/JobMarket/Controller/ControllerOptions_SystemCommandJob.hpp (moved) * JobMarket/src/JobMarket/Controller/FragmentController.cpp (moved) * JobMarket/src/JobMarket/Controller/FragmentController.hpp (moved) * JobMarket/src/JobMarket/Controller/controller.cpp (added) * JobMarket/src/JobMarket/Controller/controller_AddOn.hpp (moved) * JobMarket/src/JobMarket/Controller/controller_AddOn_SystemCommandJob.cpp (moved) * JobMarket/src/JobMarket/Controller/controller_SystemCommandJob.cpp (moved) * JobMarket/src/JobMarket/Controller/controller_SystemCommandJob.hpp (moved) * JobMarket/src/JobMarket/Controller/controller_main.cpp (moved) * JobMarket/src/JobMarket/Controller/controller_main.hpp (moved) * JobMarket/src/JobMarket/DefaultOptions.cpp (moved) * JobMarket/src/JobMarket/DefaultOptions.hpp (moved) * JobMarket/src/JobMarket/Makefile.am (modified) * JobMarket/src/JobMarket/ServerOptions.cpp (moved) * JobMarket/src/JobMarket/ServerOptions.hpp (moved) * JobMarket/src/JobMarket/SignalHandler.cpp (moved) * JobMarket/src/JobMarket/SignalHandler.hpp (moved) * JobMarket/src/JobMarket/SignalOptions.cpp (moved) * JobMarket/src/JobMarket/SignalOptions.hpp (moved) * JobMarket/src/JobMarket/WorkerOptions.cpp (moved) * JobMarket/src/JobMarket/WorkerOptions.hpp (moved) * JobMarket/src/JobMarket/poolworker.cpp (added) * JobMarket/src/JobMarket/poolworker_main.cpp (moved) * JobMarket/src/JobMarket/poolworker_main.hpp (moved) * JobMarket/src/JobMarket/server.cpp (added) * JobMarket/src/JobMarket/server_main.cpp (moved) * JobMarket/src/JobMarket/server_main.hpp (moved) * JobMarket/src/unittests/Makefile.am (modified) * src/ControllerOptions_MPQCCommandJob.hpp (modified) * src/Makefile.am (modified) * src/controller.cpp (modified) * src/controller_MPQCCommandJob.cpp (modified) * src/controller_MPQCCommandJob.hpp (modified) Moved all Controller.., ..Options, and .._main() files over to JobMarket. Fri, 06 Jul 2012 10:18:46 GMT Frederik Heber [a10cc0] * JobMarket/AUTHORS (added) * JobMarket/COPYING (added) * JobMarket/ChangeLog (added) * JobMarket/INSTALL (added) * JobMarket/JobMarket-debug.pc.in (added) * JobMarket/JobMarket.pc.in (added) * JobMarket/Makefile.am (added) * JobMarket/NEWS (added) * JobMarket/README (added) * JobMarket/bootstrap (added) * JobMarket/build-aux/README (added) * JobMarket/configure.ac (added) * JobMarket/configure.scan (added) * JobMarket/doc/Doxyfile (added) * JobMarket/doc/Makefile.am (added) * JobMarket/doc/am_doxygen_include.am (added) * JobMarket/libJobMarket_config.h.in (added) * JobMarket/m4 (added) * JobMarket/src/JobMarket/Connection.hpp (moved) * JobMarket/src/JobMarket/ControllerChoices.hpp (moved) * JobMarket/src/JobMarket/ExitflagContainer.hpp (moved) * JobMarket/src/JobMarket/FragmentController.cpp (moved) * JobMarket/src/JobMarket/FragmentController.hpp (moved) * JobMarket/src/JobMarket/FragmentQueue.cpp (moved) * JobMarket/src/JobMarket/FragmentQueue.hpp (moved) * JobMarket/src/JobMarket/FragmentScheduler.cpp (moved) * JobMarket/src/JobMarket/FragmentScheduler.hpp (moved) * JobMarket/src/JobMarket/GlobalJobId.cpp (moved) * JobMarket/src/JobMarket/GlobalJobId.hpp (moved) * JobMarket/src/JobMarket/JobId.cpp (moved) * JobMarket/src/JobMarket/JobId.hpp (moved) * JobMarket/src/JobMarket/Jobs/FragmentJob.cpp (moved) * JobMarket/src/JobMarket/Jobs/FragmentJob.hpp (moved) * JobMarket/src/JobMarket/Jobs/SystemCommandJob.cpp (moved) * JobMarket/src/JobMarket/Jobs/SystemCommandJob.hpp (moved) * JobMarket/src/JobMarket/Listener.cpp (moved) * JobMarket/src/JobMarket/Listener.hpp (moved) * JobMarket/src/JobMarket/Makefile.am (added) * JobMarket/src/JobMarket/Operations/AsyncOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/AsyncOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/CheckResultsOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/CheckResultsOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/GetNextJobIdOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/GetNextJobIdOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/ReceiveResultsOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/ReceiveResultsOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/RemoveAllWorkerOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/RemoveAllWorkerOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/SendJobsOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/SendJobsOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/ShutdownOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Controllers/ShutdownOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Operation.hpp (moved) * JobMarket/src/JobMarket/Operations/OperationQueue.cpp (moved) * JobMarket/src/JobMarket/Operations/OperationQueue.hpp (moved) * JobMarket/src/JobMarket/Operations/OperationRegistry.cpp (moved) * JobMarket/src/JobMarket/Operations/OperationRegistry.hpp (moved) * JobMarket/src/JobMarket/Operations/Servers/SendJobToWorkerOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Servers/SendJobToWorkerOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Servers/ShutdownWorkerOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Servers/ShutdownWorkerOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/SyncOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/SyncOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Workers/EnrollInPoolOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Workers/EnrollInPoolOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Workers/ObtainJobOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Workers/ObtainJobOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Workers/RemoveFromPoolOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Workers/RemoveFromPoolOperation.hpp (moved) * JobMarket/src/JobMarket/Operations/Workers/SubmitResultOperation.cpp (moved) * JobMarket/src/JobMarket/Operations/Workers/SubmitResultOperation.hpp (moved) * JobMarket/src/JobMarket/Pool/PoolWorker.cpp (moved) * JobMarket/src/JobMarket/Pool/PoolWorker.hpp (moved) * JobMarket/src/JobMarket/Pool/WorkerPool.cpp (moved) * JobMarket/src/JobMarket/Pool/WorkerPool.hpp (moved) * JobMarket/src/JobMarket/Results/FragmentResult.cpp (moved) * JobMarket/src/JobMarket/Results/FragmentResult.hpp (moved) * JobMarket/src/JobMarket/WorkerAddress.cpp (moved) * JobMarket/src/JobMarket/WorkerAddress.hpp (moved) * JobMarket/src/JobMarket/WorkerChoices.hpp (moved) * JobMarket/src/JobMarket/atexit.cpp (moved) * JobMarket/src/JobMarket/atexit.hpp (moved) * JobMarket/src/JobMarket/types.hpp (moved) * JobMarket/src/documentation/Makefile.am (added) * JobMarket/src/documentation/jobmarket.dox (moved) * JobMarket/src/documentation/mainpage.dox (added) * JobMarket/src/unittests/FragmentJobUnitTest.cpp (moved) * JobMarket/src/unittests/FragmentJobUnitTest.hpp (moved) * JobMarket/src/unittests/FragmentQueueUnitTest.cpp (moved) * JobMarket/src/unittests/FragmentQueueUnitTest.hpp (moved) * JobMarket/src/unittests/FragmentResultUnitTest.cpp (moved) * JobMarket/src/unittests/FragmentResultUnitTest.hpp (moved) * JobMarket/src/unittests/Makefile.am (moved) * JobMarket/src/unittests/OperationQueueUnitTest.cpp (moved) * JobMarket/src/unittests/OperationQueueUnitTest.hpp (moved) * JobMarket/src/unittests/SystemCommandJobUnitTest.cpp (moved) * JobMarket/src/unittests/SystemCommandJobUnitTest.hpp (moved) * JobMarket/src/unittests/UnitTestMain.cpp (added) * JobMarket/src/unittests/WorkerAddressUnitTest.cpp (moved) * JobMarket/src/unittests/WorkerAddressUnitTest.hpp (moved) * JobMarket/src/unittests/WorkerPoolUnitTest.cpp (moved) * JobMarket/src/unittests/WorkerPoolUnitTest.hpp (moved) * JobMarket/src/unittests/stubs/AsyncOperationStub.hpp (moved) * JobMarket/src/unittests/stubs/FragmentJobStub.cpp (moved) * JobMarket/src/unittests/stubs/FragmentJobStub.hpp (moved) * JobMarket/src/unittests/stubs/FragmentResultStub.cpp (moved) * JobMarket/src/unittests/stubs/ObserverStub.cpp (added) * JobMarket/src/unittests/stubs/ObserverStub.hpp (added) * JobMarket/tests/CodeChecks/Makefile.am (added) * JobMarket/tests/CodeChecks/atlocal.in (added) * JobMarket/tests/CodeChecks/testsuite-config_h.at (added) * JobMarket/tests/CodeChecks/testsuite-date_in_dox.at (added) * JobMarket/tests/CodeChecks/testsuite-header-dist.at (added) * JobMarket/tests/CodeChecks/testsuite-memdebug.at (added) * JobMarket/tests/CodeChecks/testsuite-project-disclaimer.at (added) * JobMarket/tests/CodeChecks/testsuite.at (added) * Makefile.am (modified) * configure.ac (modified) * src/Fragmentation/Automation/Makefile.am (deleted) * src/Jobs/MPQCCommandJob.cpp (modified) * src/Jobs/MPQCCommandJob.hpp (modified) * src/Jobs/Makefile.am (modified) * src/Jobs/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/unittests/Makefile.am (modified) Moved all Fragmentation/Automation into new subpackage JobMarket. - ... Fri, 06 Jul 2012 10:18:46 GMT Frederik Heber [7546b0] * src/Makefile.am (modified) * src/Server.cpp (modified) * src/controller.cpp (modified) * src/controller_main.cpp (added) * src/controller_main.hpp (added) * src/poolworker.cpp (modified) * src/poolworker_main.cpp (added) * src/poolworker_main.hpp (added) * src/server_main.cpp (added) * src/server_main.hpp (added) Split off main() in controller, poolworker and server into ..._main() ... Fri, 06 Jul 2012 10:18:46 GMT Frederik Heber [fd4d5e] * src/Fragmentation/Automation/Makefile.am (modified) * src/Makefile.am (modified) Added convenience libraries for Controller, Server, Pool, and ... Fri, 06 Jul 2012 10:18:46 GMT Frederik Heber [014bc4] * src/Makefile.am (modified) * src/controller.cpp (modified) * src/controller_AddOn.hpp (added) * src/controller_AddOn_MPQCCommandJob.cpp (added) * src/controller_AddOn_SystemCommandJob.cpp (added) * src/controller_MPQCCommandJob.cpp (modified) * src/controller_MPQCCommandJob.hpp (modified) * src/controller_SystemCommandJob.cpp (modified) * src/controller_SystemCommandJob.hpp (modified) Introduced interface controller_AddOn.hpp that encapsulates ... Fri, 06 Jul 2012 10:18:45 GMT Frederik Heber [cbcbbd] * src/ControllerOptions_MPQCCommandJob.cpp (modified) * src/ControllerOptions_MPQCCommandJob.hpp (modified) * src/Makefile.am (modified) * src/controller.cpp (modified) * src/controller_MPQCCommandJob.cpp (added) * src/controller_MPQCCommandJob.hpp (added) * src/controller_SystemCommandJob.cpp (added) * src/controller_SystemCommandJob.hpp (added) Split off SystemCommandJob-specific stuff in controller into module ... Fri, 06 Jul 2012 10:18:45 GMT Frederik Heber [ee61ce] * src/ControllerCommand.hpp (added) * src/ControllerCommandRegistry.cpp (added) * src/ControllerCommandRegistry.hpp (added) * src/Makefile.am (modified) * src/controller.cpp (modified) Extracted ControllerCommand and ControllerCommandRegistry from ... Fri, 06 Jul 2012 10:18:44 GMT Frederik Heber [ad39c2] * src/Makefile.am (modified) * src/Server.cpp (modified) Server now uses SignalHandler as well (as poolworker does). Fri, 06 Jul 2012 10:18:44 GMT Frederik Heber [2a20bd] * src/Makefile.am (modified) * src/Server.cpp (modified) * src/ServerOptions.cpp (added) * src/ServerOptions.hpp (added) Placed all Option parsing in Server into ServerOptions on own module. Fri, 06 Jul 2012 10:18:44 GMT Frederik Heber [4ccc8d] * src/Makefile.am (modified) * src/SignalHandler.cpp (added) * src/SignalHandler.hpp (added) * src/poolworker.cpp (modified) Placed signalhandling into own class SignalHandler from PoolWorker. ... Fri, 06 Jul 2012 10:18:44 GMT Frederik Heber [6c52d2] * src/Makefile.am (modified) * src/SignalOptions.cpp (added) * src/SignalOptions.hpp (added) * src/WorkerOptions.cpp (added) * src/WorkerOptions.hpp (added) * src/poolworker.cpp (modified) Refactored option parsing in poolworker into WorkerOptions and ... Fri, 06 Jul 2012 10:18:44 GMT Frederik Heber [5fa1f0] * src/ControllerOptions.cpp (added) * src/ControllerOptions.hpp (added) * src/ControllerOptions_MPQCCommandJob.cpp (added) * src/ControllerOptions_MPQCCommandJob.hpp (added) * src/ControllerOptions_SystemCommandJob.cpp (added) * src/ControllerOptions_SystemCommandJob.hpp (added) * src/DefaultOptions.cpp (added) * src/DefaultOptions.hpp (added) * src/Makefile.am (modified) * src/controller.cpp (modified) Outsourced DefaultOptions, ControllerOptions, ... Fri, 06 Jul 2012 10:18:43 GMT Frederik Heber [cc5db5] * Makefile.am (modified) * src/Fragmentation/Automation/Makefile.am (modified) * src/Fragmentation/Automation/unittests/Makefile.am (modified) * src/Jobs/MPQCCommandJob.cpp (moved) * src/Jobs/MPQCCommandJob.hpp (moved) * src/Jobs/MPQCCommandJob_MPQCData.cpp (moved) * src/Jobs/MPQCCommandJob_MPQCData.hpp (moved) * src/Jobs/Makefile.am (added) * src/Jobs/unittests/MPQCCommandJobUnitTest.cpp (moved) * src/Jobs/unittests/MPQCCommandJobUnitTest.hpp (moved) * src/Jobs/unittests/MPQCDataUnitTest.cpp (moved) * src/Jobs/unittests/MPQCDataUnitTest.hpp (moved) * src/Jobs/unittests/Makefile.am (added) * src/Makefile.am (modified) * src/Server.cpp (moved) * src/controller.cpp (moved) * src/poolworker.cpp (moved) * src/unittests/Makefile.am (modified) * tests/regression/Fragmentation/Automation/testsuite-fragmentation-automation-addingjobs.at (modified) * tests/regression/Fragmentation/Automation/testsuite-fragmentation-automation-checkstate.at (modified) * tests/regression/Fragmentation/Automation/testsuite-fragmentation-automation-completerun.at (modified) * tests/regression/Fragmentation/Automation/testsuite-fragmentation-automation-enrollinpool.at (modified) * tests/regression/Fragmentation/Automation/testsuite-fragmentation-automation-getresults.at (modified) * tests/regression/Fragmentation/Automation/testsuite-fragmentation-automation-mpqc-jobs.at (modified) * tests/regression/Fragmentation/Automation/testsuite-fragmentation-automation-resubmitjobs.at (modified) * tests/regression/Fragmentation/Automation/testsuite-fragmentation-automation-server-shutdown.at (modified) * tests/regression/Fragmentation/Automation/testsuite-fragmentation-automation-server-worker.at (modified) Moved all MPQCCommand... to src/Jobs, controller,server,poolworker to ... Mon, 18 Jun 2012 10:53:30 GMT Frederik Heber [785218] * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) FIX: Changed pyMoleCuilder_LDFLAGS and libMolecuilderUI_LDFLAGS. Wed, 13 Jun 2012 17:39:12 GMT Frederik Heber [8453b3] * src/Actions/AnalysisAction/PairCorrelationAction.def (modified) * src/Actions/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/Parameters/Makefile.am (added) * src/Parameters/Validators/STLVectorValidator.hpp (added) * src/Parameters/Validators/Specific/BoxLengthValidator.cpp (added) * src/Parameters/Validators/Specific/BoxLengthValidator.hpp (added) * src/Parameters/Validators/Specific/ElementValidator.hpp (added) * src/Parameters/Validators/Specific/FilePresentValidator.hpp (added) * src/Parameters/unittests/stubs/BoxLengthValidatorStub.cpp (added) * src/UIElements/Makefile.am (modified) Exemplarily modified PairCorrelationAction.def to have specific ... Fri, 06 Apr 2012 11:44:51 GMT Frederik Heber [af9be32] * src/Actions/UndoRedoHelpers.cpp (modified) * src/Actions/UndoRedoHelpers.hpp (modified) * src/Bond/BondInfo.cpp (added) * src/Bond/BondInfo.hpp (added) * src/Makefile.am (modified) Added BondInfo to store bond's state information for later re- ... Tue, 03 Apr 2012 07:55:43 GMT Frederik Heber [61c364] * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * src/Actions/SelectionAction/Atoms/AtomByOrderAction.cpp (added) * src/Actions/SelectionAction/Atoms/AtomByOrderAction.def (added) * src/Actions/SelectionAction/Atoms/AtomByOrderAction.hpp (added) * src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.cpp (added) * src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.def (added) * src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.hpp (added) * src/Descriptors/AtomOrderDescriptor.cpp (added) * src/Descriptors/AtomOrderDescriptor.hpp (added) * src/Descriptors/AtomOrderDescriptor_impl.hpp (added) * src/Descriptors/unittests/AtomDescriptorUnitTest.cpp (modified) * src/Descriptors/unittests/AtomDescriptorUnitTest.hpp (modified) * src/Makefile.am (modified) * src/World.hpp (modified) * tests/Python/AllActions/moltest.py (modified) * tests/Python/AllActions/moltest_check.py (modified) * tests/Python/AllActions/options.dat (modified) * tests/regression/Makefile.am (modified) * tests/regression/Selection/Atoms/AtomByOrder/post/empty.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id0_missing.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id0_present.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id1_missing.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id1_present.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id2_missing.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id2_present.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id3_missing.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id3_present.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id4_missing.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id4_present.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id5_missing.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id5_present.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id6_missing.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id6_present.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id7_missing.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/id7_present.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/post/test-undo.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz (added) * tests/regression/Selection/Atoms/AtomByOrder/testsuite-selection-select-atom-by-order.at (added) * tests/regression/Selection/Atoms/AtomByOrder/testsuite-selection-unselect-atom-by-order.at (added) * tests/regression/Selection/Atoms/testsuite-selection-atoms.at (modified) Added AtomOrderDescription along with SelectionAtomByOrder. - added ... Fri, 30 Mar 2012 09:18:26 GMT Frederik Heber [4c6e70] * src/Makefile.am (modified) * src/Tesselation/ApproximateShapeArea.cpp (added) * src/Tesselation/ApproximateShapeArea.hpp (added) * src/Tesselation/ApproximateShapeVolume.cpp (added) * src/Tesselation/ApproximateShapeVolume.hpp (added) Added functors for calculating surface area and volume of a Shape. ... Fri, 30 Mar 2012 09:16:31 GMT Frederik Heber [0d57cbe] * src/Filling/Makefile.am (added) * src/Filling/NodeTypes.hpp (added) * src/Makefile.am (modified) Added Node and NodeSet for a position and a vector of Positions. Fri, 30 Mar 2012 08:22:24 GMT Frederik Heber [5e6534] * src/AtomIdSet.cpp (added) * src/AtomIdSet.hpp (added) * src/Makefile.am (modified) * src/unittests/AtomIdSetUnitTest.cpp (added) * src/unittests/AtomIdSetUnitTest.hpp (added) * src/unittests/Makefile.am (modified) Refactored transform_iterator out of class molecule as AtomIdSet. - ... Wed, 22 Feb 2012 11:29:59 GMT Frederik Heber [a292f6] * src/Makefile.am (modified) DISTCHECKFIX: Forgot to add IdPool_policy.hpp to Makefile.am. Wed, 22 Feb 2012 11:28:41 GMT Frederik Heber [dd067a] * src/Box_BoundaryConditions.cpp (added) * src/Box_BoundaryConditions.hpp (added) * src/Makefile.am (modified) * src/unittests/Box_BoundaryConditionsUnitTest.cpp (added) * src/unittests/Box_BoundaryConditionsUnitTest.hpp (added) * src/unittests/Makefile.am (modified) Add new namespace BoundaryConditions with class BCContainer. - ... Fri, 17 Feb 2012 15:24:17 GMT Frederik Heber [3f7587] * src/Bond/bond.cpp (modified) * src/Bond/bond.hpp (modified) * src/Bond/bond_observable.cpp (added) * src/Bond/bond_observable.hpp (added) * src/Makefile.am (modified) Made bond also an Observable. - for the moment this is not used. Mon, 02 Jan 2012 13:34:29 GMT Frederik Heber [7afb77] * src/Descriptors/AtomsWithinDistanceOfDescriptor.cpp (added) * src/Descriptors/AtomsWithinDistanceOfDescriptor.hpp (added) * src/Descriptors/AtomsWithinDistanceOfDescriptor_impl.hpp (added) * src/Makefile.am (modified) * src/documentation/constructs/descriptors.dox (modified) Added AtomsWithinDistanceOf descriptor. - this is basically just a ... Mon, 02 Jan 2012 13:34:28 GMT Frederik Heber [b49568] * src/Descriptors/AtomOfMoleculeDescriptor.cpp (added) * src/Descriptors/AtomOfMoleculeDescriptor.hpp (added) * src/Descriptors/AtomOfMoleculeDescriptor_impl.hpp (added) * src/Descriptors/unittests/AtomDescriptorUnitTest.cpp (modified) * src/Descriptors/unittests/AtomDescriptorUnitTest.hpp (modified) * src/Makefile.am (modified) * src/documentation/constructs/descriptors.dox (modified) Added new descriptor AtomOfMolecule. - also added new unit test ... Wed, 28 Dec 2011 15:30:06 GMT Frederik Heber [6f0841] * src/Actions/AnalysisAction/CalculateMolarMassAction.cpp (modified) * src/Actions/AtomAction/AddAction.cpp (modified) * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Actions/AtomAction/RemoveAction.cpp (modified) * src/Actions/AtomAction/TranslateAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/GraphAction/DepthFirstSearchAction.cpp (modified) * src/Actions/GraphAction/SubgraphDissectionAction.cpp (modified) * src/Actions/MoleculeAction/ChangeNameAction.cpp (modified) * src/Actions/MoleculeAction/CopyAction.cpp (modified) * src/Actions/MoleculeAction/CreateMicelleAction.cpp (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified) * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp (modified) * src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp (modified) * src/Actions/SelectionAction/Molecules/AllMoleculesAction.cpp (modified) * src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.cpp (modified) * src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.cpp (modified) * src/Actions/ValueStorage.cpp (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified) * src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Actions/WorldAction/ScaleBoxAction.cpp (modified) * src/Actions/unittests/AtomsCalculationUnitTest.cpp (modified) * src/Actions/unittests/ManipulateAtomsUnitTest.cpp (modified) * src/Analysis/analysis_bonds.cpp (modified) * src/Analysis/analysis_correlation.cpp (modified) * src/Analysis/analysis_correlation.hpp (modified) * src/Analysis/unittests/AnalysisBondsUnitTest.cpp (modified) * src/Analysis/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/Analysis/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/Analysis/unittests/CountBondsUnitTest.cpp (modified) * src/Atom/AtomSet.hpp (moved) * src/Atom/AtomicInfo.cpp (moved) * src/Atom/AtomicInfo.hpp (moved) * src/Atom/Makefile.am (added) * src/Atom/TesselPoint.cpp (moved) * src/Atom/TesselPoint.hpp (moved) * src/Atom/atom.cpp (moved) * src/Atom/atom.hpp (moved) * src/Atom/atom_atominfo.cpp (moved) * src/Atom/atom_atominfo.hpp (moved) * src/Atom/atom_bondedparticle.cpp (moved) * src/Atom/atom_bondedparticle.hpp (moved) * src/Atom/atom_bondedparticleinfo.cpp (moved) * src/Atom/atom_bondedparticleinfo.hpp (moved) * src/Atom/atom_graphnode.cpp (moved) * src/Atom/atom_graphnode.hpp (moved) * src/Atom/atom_graphnodeinfo.cpp (moved) * src/Atom/atom_graphnodeinfo.hpp (moved) * src/Atom/atom_observable.cpp (moved) * src/Atom/atom_observable.hpp (moved) * src/Atom/atom_particleinfo.cpp (moved) * src/Atom/atom_particleinfo.hpp (moved) * src/Bond/bond.cpp (modified) * src/Descriptors/AtomDescriptor.cpp (modified) * src/Descriptors/AtomIdDescriptor.cpp (modified) * src/Descriptors/AtomShapeDescriptor.cpp (modified) * src/Descriptors/AtomTypeDescriptor.cpp (modified) * src/Descriptors/unittests/AtomDescriptorUnitTest.cpp (modified) * src/Dynamics/LinearInterpolationBetweenSteps.hpp (modified) * src/Dynamics/MinimiseConstrainedPotential.cpp (modified) * src/Dynamics/VerletForceIntegration.hpp (modified) * src/Fragmentation/AdaptivityMap.cpp (modified) * src/Fragmentation/BondsPerShortestPath.cpp (modified) * src/Fragmentation/Fragmentation.cpp (modified) * src/Fragmentation/PowerSetGenerator.cpp (modified) * src/Fragmentation/UniqueFragments.cpp (modified) * src/Fragmentation/fragmentation_helpers.cpp (modified) * src/Graph/BondGraph.cpp (modified) * src/Graph/BondGraph.hpp (modified) * src/Graph/BreadthFirstSearchAdd.cpp (modified) * src/Graph/BuildInducedSubgraph.cpp (modified) * src/Graph/CheckAgainstAdjacencyFile.cpp (modified) * src/Graph/ConnectedSubgraph.cpp (modified) * src/Graph/CyclicStructureAnalysis.cpp (modified) * src/Graph/DepthFirstSearchAnalysis.cpp (modified) * src/Graph/unittests/BondGraphUnitTest.cpp (modified) * src/Graph/unittests/CheckAgainstAdjacencyFileUnitTest.cpp (modified) * src/LinkedCell/PointCloudAdaptor.hpp (modified) * src/LinkedCell/linkedcell.cpp (modified) * src/LinkedCell/unittests/linkedcellUnitTest.cpp (modified) * src/Makefile.am (modified) * src/MoleculeLeafClass.cpp (modified) * src/Parser/MpqcParser.cpp (modified) * src/Parser/PcpParser.cpp (modified) * src/Parser/PdbParser.cpp (modified) * src/Parser/Psi3Parser.cpp (modified) * src/Parser/TremoloParser.cpp (modified) * src/Parser/XyzParser.cpp (modified) * src/Parser/unittests/ParserMpqcUnitTest.cpp (modified) * src/Parser/unittests/ParserPcpUnitTest.cpp (modified) * src/Parser/unittests/ParserPdbUnitTest.cpp (modified) * src/Parser/unittests/ParserPsi3UnitTest.cpp (modified) * src/Parser/unittests/ParserTremoloUnitTest.cpp (modified) * src/Parser/unittests/ParserXyzUnitTest.cpp (modified) * src/Tesselation/BoundaryLineSet.cpp (modified) * src/Tesselation/BoundaryPointSet.cpp (modified) * src/Tesselation/BoundaryPolygonSet.cpp (modified) * src/Tesselation/BoundaryTriangleSet.cpp (modified) * src/Tesselation/CandidateForTesselation.cpp (modified) * src/Tesselation/boundary.cpp (modified) * src/Tesselation/tesselation.cpp (modified) * src/Tesselation/tesselation.hpp (modified) * src/Tesselation/unittests/TesselationUnitTest.cpp (modified) * src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.cpp (modified) * src/Tesselation/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified) * src/Thermostats/GaussianThermostat.cpp (modified) * src/Thermostats/Thermostat.hpp (modified) * src/UIElements/CommandLineUI/TypeEnumContainer.cpp (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Qt4/Query/AtomQtQuery.cpp (modified) * src/UIElements/Qt4/Query/AtomsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/RandomNumberDistribution_ParametersQtQuery.cpp (modified) * src/UIElements/TextUI/Query/AtomsTextQuery.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/QtWorldView.cpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/ListOfBondsUnitTest.cpp (modified) Shifted all modules related to atoms into own subfolder src/Atom/ - ... Wed, 28 Dec 2011 15:30:06 GMT Frederik Heber [91f592] * src/LinkedCell/Makefile.am (added) * src/LinkedCell/unittests/Makefile.am (added) * src/LinkedCell/unittests/linkedcellUnitTest.cpp (moved) * src/LinkedCell/unittests/linkedcellUnitTest.hpp (moved) * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/unittests/Makefile.am (modified) Added own convenience library for LinkedCell construct. Wed, 28 Dec 2011 15:30:06 GMT Frederik Heber [53c7fc] * src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/DipoleCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/Analysis/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/Analysis/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/Fragmentation/analyzer.cpp (modified) * src/Graph/BondGraph.cpp (modified) * src/Graph/BondGraph.hpp (modified) * src/LinkedCell/IPointCloud.hpp (moved) * src/LinkedCell/PointCloudAdaptor.hpp (moved) * src/LinkedCell/linkedcell.cpp (moved) * src/LinkedCell/linkedcell.hpp (moved) * src/Makefile.am (modified) * src/Tesselation/CandidateForTesselation.cpp (modified) * src/Tesselation/boundary.cpp (modified) * src/Tesselation/ellipsoid.cpp (modified) * src/Tesselation/tesselation.cpp (modified) * src/Tesselation/tesselationhelpers.cpp (modified) * src/Tesselation/unittests/TesselationUnitTest.cpp (modified) * src/Tesselation/unittests/TesselationUnitTest.hpp (modified) * src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.hpp (modified) * src/Tesselation/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified) * src/Tesselation/unittests/Tesselation_InsideOutsideUnitTest.hpp (modified) * src/molecule.cpp (modified) * src/molecule_graph.cpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) Moved linkedcell.[ch]pp and related files to folder src/LinkedCell. ... Wed, 28 Dec 2011 15:27:49 GMT Frederik Heber [3e4fb6] * src/IdPool.hpp (added) * src/IdPool_impl.hpp (added) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/documentation/constructs/world.dox (modified) Added template class IdPool used by World to manage defragmentable id ... Wed, 28 Dec 2011 15:24:57 GMT Frederik Heber [c015b3] * configure.ac (modified) * src/Actions/Makefile.am (modified) * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * tests/Makefile.am (modified) * tests/Python/AllActions/getPossibleOptions.sh (moved) * tests/Python/AllActions/listcmds.py (moved) * tests/Python/AllActions/missing.dat (moved) * tests/Python/AllActions/moltest.py (moved) * tests/Python/AllActions/moltest_check.py (moved) * tests/Python/AllActions/options.dat (moved) * tests/Python/AllActions/testsuite-python-allactions.at (added) * tests/Python/AllActions/testsuite-python-options_dat.at (added) * tests/Python/BoxMaker/post/out.data (moved) * tests/Python/BoxMaker/post/out.xyz (moved) * tests/Python/BoxMaker/pre/argon.data (moved) * tests/Python/BoxMaker/pre/argon.potentials (moved) * tests/Python/BoxMaker/pre/argon.tremolo (moved) * tests/Python/BoxMaker/testsuite-python-boxmaker.at (added) * tests/Python/CommandHelp/testsuite-python-commandhelp.at (moved) * tests/Python/Makefile.am (added) * tests/Python/ReturnValueActions/testsuite-python-returnvalueactions.at (moved) * tests/Python/atlocal.in (added) * tests/Python/run.in (moved) * tests/Python/testsuite.at (added) * tests/regression/Makefile.am (modified) * tests/regression/Python/AllActions/testsuite-python-allactions.at (deleted) * tests/regression/Python/AllActions/testsuite-python-options_dat.at (deleted) * tests/regression/Python/BoxMaker/testsuite-python-boxmaker.at (deleted) * tests/regression/Python/testsuite-python.at (deleted) * tests/regression/testsuite.at (modified) * utils/Makefile.am (modified) Added enable-switches for Qt-based GUI and python module and scripts. ... Thu, 10 Nov 2011 16:05:39 GMT Frederik Heber [936a02] * data/bondtables/bondtable.dat (added) * data/databases/Hbondangle.db (moved) * data/databases/Hbonddistance.db (moved) * data/databases/elements.db (moved) * data/databases/orbitals.db (moved) * data/databases/valence.db (moved) * data/molecules/ATPase.pdb (added) * data/molecules/AntifreezeProtein.pdb (added) * data/molecules/bpti.pdb (added) * data/molecules/oxirane.pdb (added) * data/molecules/portlandite.pdb (added) * data/molecules/propene.pdb (added) * data/molecules/testosterone.pdb (added) * data/molecules/tmv_periodic_segment.pdb (added) * data/molecules/tmv_periodic_tube.pdb (added) * data/molecules/water.pdb (added) * src/Makefile.am (modified) * src/documentation/data.dox (added) * src/documentation/mainpage.dox (modified) Creating data dir for bondtables, databases, and molecules. - Moved ... Tue, 08 Nov 2011 11:45:15 GMT Frederik Heber [12facf] * src/Actions/hello.cpp (deleted) * src/Makefile.am (modified) * tests/regression/Makefile.am (modified) * tests/regression/Python/Pythontest/testsuite-python-pythontest.at (deleted) * tests/regression/Python/testsuite-python.at (modified) Removed now obsolete Pythontest including regression test. - as ... Tue, 08 Nov 2011 11:45:15 GMT Frederik Heber [48d3c0] * src/Actions/Makefile.am (modified) * src/Makefile.am (modified) DISTCHECKFIX: Added some missing header files in src/Actions. - ... Mon, 07 Nov 2011 12:23:52 GMT Frederik Heber [949953] * src/Actions/Action_impl_python.hpp (added) * src/Actions/Action_impl_undef.hpp (added) * src/Actions/Makefile.am (modified) * src/Actions/pyMoleCuilder.cpp (modified) * src/Makefile.am (modified) * src/builder_init.cpp (modified) * src/builder_init.hpp (modified) * src/cleanUp.cpp (added) * src/cleanUp.hpp (added) pyMoleCuilder now has full functionality. - For each header file ... Mon, 07 Nov 2011 10:46:37 GMT Frederik Heber [071243] * src/Actions/hello.cpp (modified) * src/Makefile.am (modified) Enhanced tiny example to resemble action structure. - Pythontest ... Fri, 04 Nov 2011 15:20:41 GMT Frederik Heber [aee2da] * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) Added BUILT_SOURCES as appendable variable in various Makefile.am's. Fri, 04 Nov 2011 15:20:41 GMT Frederik Heber [693a80] * src/Actions/pyMoleCuilder.cpp (added) * src/Makefile.am (modified) * tests/regression/Makefile.am (modified) * tests/regression/Python/CommandHelp/testsuite-python-commandhelp.at (added) * tests/regression/Python/testsuite-python.at (modified) Added pyMoleCuilder as python module with single exported function ... Fri, 04 Nov 2011 15:20:40 GMT Frederik Heber [2d31e1] * configure.ac (modified) * src/Actions/hello.cpp (modified) * src/Makefile.am (modified) * tests/regression/Makefile.am (modified) * tests/regression/Python/run.in (added) * tests/regression/Python/testsuite-python.at (modified) Python tests are now launched via small script run.in. - this is ... Fri, 04 Nov 2011 15:20:40 GMT Frederik Heber [715085] * configure.ac (modified) * m4/ax_python.m4 (added) * src/Actions/hello.cpp (added) * src/Makefile.am (modified) * tests/regression/Makefile.am (modified) * tests/regression/Python/testsuite-python.at (added) * tests/regression/testsuite.at (modified) Simple boost::python test program added. - we have a function ... Fri, 04 Nov 2011 15:19:32 GMT Frederik Heber [3b5fca] * src/Makefile.am (modified) FIX: joiner, analzer and units lacked appropriate ..._LDFLAGS. - ... Fri, 04 Nov 2011 15:19:11 GMT Frederik Heber [d24953] * src/Makefile.am (modified) * tests/CodeChecks/testsuite-config_h.at (modified) * tests/CodeChecks/testsuite-memdebug.at (modified) DISTCHECKFIX: target unity.cpp has no MemDebug.hpp or config.h. - ... Fri, 04 Nov 2011 08:07:54 GMT Frederik Heber [262ecc] * m4/boost.m4 (modified) * src/Fragmentation/Makefile.am (modified) * src/Makefile.am (modified) DISTCHECKFIX: Forgotten .hpp files included. Thu, 03 Nov 2011 19:44:02 GMT Frederik Heber [ab26c3] * src/Dynamics/VerletForceIntegration.hpp (modified) * src/Makefile.am (modified) * src/Parser/PcpParser.cpp (modified) * src/Thermostats/Berendsen.cpp (modified) * src/Thermostats/Langevin.cpp (modified) * src/Thermostats/NoseHoover.cpp (modified) * src/Thermostats/ThermoStatContainer.cpp (moved) * src/Thermostats/ThermoStatContainer.hpp (moved) * src/Thermostats/Woodcock.cpp (modified) * src/World.cpp (modified) Moved ThermoStatContainer to folder src/Thermostats. Thu, 03 Nov 2011 19:44:01 GMT Frederik Heber [41a467] * src/Actions/CommandAction/BondLengthTableAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/GraphAction/SubgraphDissectionAction.cpp (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified) * src/Actions/MoleculeAction/SaveBondsAction.cpp (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified) * src/Dynamics/MinimiseConstrainedPotential.cpp (modified) * src/Makefile.am (modified) * src/Parser/ConfigFileBuffer.cpp (moved) * src/Parser/ConfigFileBuffer.hpp (moved) * src/Parser/Makefile.am (modified) * src/Parser/MpqcParser.cpp (modified) * src/Parser/PcpParser.cpp (modified) * src/Parser/PcpParser_helper.cpp (added) * src/Parser/PcpParser_helper.hpp (added) * src/Parser/Psi3Parser.cpp (modified) * src/ThermoStatContainer.cpp (modified) * src/Thermostats/Berendsen.cpp (modified) * src/Thermostats/GaussianThermostat.cpp (modified) * src/Thermostats/Langevin.cpp (modified) * src/Thermostats/NoseHoover.cpp (modified) * src/Thermostats/Woodcock.cpp (modified) * src/UIElements/TextUI/TextWindow.cpp (modified) * src/config.cpp (modified) * src/config.hpp (modified) LARGE: config class is now just a tiny container. - this was ... Tue, 25 Oct 2011 12:08:03 GMT Frederik Heber [d3abb1] * src/Actions/GraphAction/DepthFirstSearchAction.cpp (modified) * src/Fragmentation/Fragmentation.cpp (modified) * src/Graph/DepthFirstSearchAnalysis.cpp (modified) * src/Makefile.am (modified) * src/MoleculeLeafClass.cpp (added) * src/MoleculeLeafClass.hpp (added) * src/molecule.hpp (modified) * src/moleculelist.cpp (modified) Extracted MoleculeLeafClass into own module. - removed some ... Tue, 25 Oct 2011 12:08:03 GMT Frederik Heber [ba94c5] * src/Fragmentation/Fragmentation.cpp (modified) * src/Fragmentation/Fragmentation.hpp (modified) * src/Fragmentation/UniqueFragments.cpp (modified) * src/Fragmentation/fragmentation_helpers.cpp (modified) * src/Fragmentation/fragmentation_helpers.hpp (modified) * src/Makefile.am (modified) * src/graph.cpp (deleted) * src/graph.hpp (deleted) * src/molecule.cpp (modified) * src/molecule.hpp (modified) Removed modules graph.[ch]pp. - typedef of KeyStack is placed in ... Tue, 25 Oct 2011 12:08:03 GMT Frederik Heber [246e13] * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Fragmentation/Fragmentation.cpp (moved) * src/Fragmentation/Fragmentation.hpp (added) * src/Fragmentation/Makefile.am (modified) * src/Makefile.am (modified) * src/molecule.hpp (modified) * src/molecule_graph.cpp (modified) Placed FragmentMolecule, FragmentBOSSANOVA and subfunctions into own ... Tue, 25 Oct 2011 12:08:02 GMT Frederik Heber [d9a032] * src/Fragmentation/Makefile.am (modified) * src/Makefile.am (modified) Initiated own conveniance library for folder src/Fragmentation. - ... Tue, 25 Oct 2011 12:08:02 GMT Frederik Heber [ba1823] * src/Fragmentation/fragmentation_helpers.cpp (added) * src/Fragmentation/fragmentation_helpers.hpp (added) * src/Makefile.am (modified) * src/molecule_fragmentation.cpp (modified) Moved all helpers fragmentation functions into folder src/Fragmentation. Mon, 17 Oct 2011 20:17:51 GMT Frederik Heber [a9b86d] * src/Dynamics/LinearInterpolationBetweenSteps.hpp (modified) * src/Dynamics/MinimiseConstrainedPotential.cpp (modified) * src/Dynamics/VerletForceIntegration.hpp (modified) * src/Fragmentation/EnergyMatrix.cpp (added) * src/Fragmentation/EnergyMatrix.hpp (added) * src/Fragmentation/ForceMatrix.cpp (added) * src/Fragmentation/ForceMatrix.hpp (added) * src/Fragmentation/HessianMatrix.cpp (added) * src/Fragmentation/HessianMatrix.hpp (added) * src/Fragmentation/KeySetsContainer.cpp (added) * src/Fragmentation/KeySetsContainer.hpp (added) * src/Fragmentation/Makefile.am (added) * src/Fragmentation/MatrixContainer.cpp (added) * src/Fragmentation/MatrixContainer.hpp (added) * src/Fragmentation/analyzer.cpp (modified) * src/Fragmentation/datacreator.cpp (modified) * src/Fragmentation/defs.hpp (added) * src/Fragmentation/helpers.cpp (added) * src/Fragmentation/helpers.hpp (added) * src/Fragmentation/joiner.cpp (modified) * src/Fragmentation/parser.cpp (deleted) * src/Fragmentation/parser.hpp (deleted) * src/Graph/BondGraph.cpp (modified) * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/atom.cpp (modified) * src/atom_atominfo.cpp (modified) Split up modules parser.[ch]pp into one module per class. - fixed ... Mon, 17 Oct 2011 16:18:54 GMT Frederik Heber [3bdb6d] * src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/AtomAction/AddAction.cpp (modified) * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Actions/CommandAction/ElementDbAction.cpp (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp (modified) * src/Actions/ValueStorage.cpp (modified) * src/Analysis/analysis_bonds.cpp (modified) * src/Analysis/analysis_correlation.cpp (modified) * src/Analysis/unittests/AnalysisBondsUnitTest.cpp (modified) * src/Analysis/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/Analysis/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/Analysis/unittests/CountBondsUnitTest.cpp (modified) * src/AtomicInfo.cpp (modified) * src/Bond/bond.cpp (modified) * src/Descriptors/AtomTypeDescriptor.cpp (modified) * src/Dynamics/MinimiseConstrainedPotential.cpp (modified) * src/Element/Hbondangle.db (moved) * src/Element/Hbonddistance.db (moved) * src/Element/Makefile.am (added) * src/Element/element.cpp (moved) * src/Element/element.hpp (moved) * src/Element/elements.db (moved) * src/Element/elements_db.cpp (moved) * src/Element/elements_db.hpp (moved) * src/Element/orbitals.db (moved) * src/Element/periodentafel.cpp (moved) * src/Element/periodentafel.hpp (moved) * src/Element/valence.db (moved) * src/Formula.cpp (modified) * src/Fragmentation/analyzer.cpp (modified) * src/Fragmentation/joiner.cpp (modified) * src/Graph/BondGraph.cpp (modified) * src/Graph/BondGraph.hpp (modified) * src/Graph/CyclicStructureAnalysis.cpp (modified) * src/Graph/unittests/BondGraphUnitTest.cpp (modified) * src/Makefile.am (modified) * src/Parser/MpqcParser.cpp (modified) * src/Parser/PcpParser.cpp (modified) * src/Parser/PdbParser.cpp (modified) * src/Parser/TremoloParser.cpp (modified) * src/Parser/XyzParser.cpp (modified) * src/Parser/unittests/ParserMpqcUnitTest.cpp (modified) * src/Parser/unittests/ParserPcpUnitTest.cpp (modified) * src/Parser/unittests/ParserPdbUnitTest.cpp (modified) * src/Parser/unittests/ParserTremoloUnitTest.cpp (modified) * src/Parser/unittests/ParserXyzUnitTest.cpp (modified) * src/Tesselation/boundary.cpp (modified) * src/Thermostats/Berendsen.cpp (modified) * src/Thermostats/GaussianThermostat.cpp (modified) * src/Thermostats/Langevin.cpp (modified) * src/Thermostats/NoseHoover.cpp (modified) * src/Thermostats/Woodcock.cpp (modified) * src/UIElements/CommandLineUI/Query/ElementCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/ElementsCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/TypeEnumContainer.cpp (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Qt4/Pipe/ElementQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/ElementsQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Query/ElementQtQuery.cpp (modified) * src/UIElements/Qt4/Query/ElementsQtQuery.cpp (modified) * src/UIElements/TextUI/Query/ElementTextQuery.cpp (modified) * src/UIElements/TextUI/Query/ElementsTextQuery.cpp (modified) * src/UIElements/TextUI/TextWindow.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/World.cpp (modified) * src/atom.cpp (modified) * src/atom_atominfo.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/builder_init.cpp (modified) * src/config.cpp (modified) * src/molecule.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/ElementUnitTest.cpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/ListOfBondsUnitTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/PeriodentafelUnitTest.cpp (modified) Moved all stuff related to elements into own subfolder and has its ... Mon, 17 Oct 2011 16:18:54 GMT Frederik Heber [2fadb6f] * src/Helpers/Makefile.am (added) * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) Helpers now reside in own convenience library. - this allows for ... Mon, 17 Oct 2011 16:18:42 GMT Frederik Heber [9b5a2c] * src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Analysis/Makefile.am (added) * src/Analysis/analysis_bonds.cpp (moved) * src/Analysis/analysis_bonds.hpp (moved) * src/Analysis/analysis_correlation.cpp (moved) * src/Analysis/analysis_correlation.hpp (moved) * src/Analysis/unittests/AnalysisBondsUnitTest.cpp (moved) * src/Analysis/unittests/AnalysisBondsUnitTest.hpp (moved) * src/Analysis/unittests/AnalysisCorrelationToPointUnitTest.cpp (moved) * src/Analysis/unittests/AnalysisCorrelationToPointUnitTest.hpp (moved) * src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (moved) * src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (moved) * src/Analysis/unittests/AnalysisPairCorrelationUnitTest.cpp (moved) * src/Analysis/unittests/AnalysisPairCorrelationUnitTest.hpp (moved) * src/Analysis/unittests/CountBondsUnitTest.cpp (moved) * src/Analysis/unittests/CountBondsUnitTest.hpp (moved) * src/Analysis/unittests/Makefile.am (added) * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/unittests/Makefile.am (modified) Moved analysis modules into subfolder Analysis along with its unit ... Thu, 13 Oct 2011 19:00:47 GMT Frederik Heber [d127c8] * src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/Makefile.am (modified) * src/PointCloudAdaptor.hpp (modified) * src/Tesselation/BoundaryLineSet.cpp (moved) * src/Tesselation/BoundaryLineSet.hpp (moved) * src/Tesselation/BoundaryMaps.hpp (moved) * src/Tesselation/BoundaryPointSet.cpp (moved) * src/Tesselation/BoundaryPointSet.hpp (moved) * src/Tesselation/BoundaryPolygonSet.cpp (moved) * src/Tesselation/BoundaryPolygonSet.hpp (moved) * src/Tesselation/BoundaryTriangleSet.cpp (moved) * src/Tesselation/BoundaryTriangleSet.hpp (moved) * src/Tesselation/CandidateForTesselation.cpp (moved) * src/Tesselation/CandidateForTesselation.hpp (moved) * src/Tesselation/TesselPoint.cpp (moved) * src/Tesselation/TesselPoint.hpp (moved) * src/Tesselation/boundary.cpp (moved) * src/Tesselation/boundary.hpp (moved) * src/Tesselation/ellipsoid.cpp (moved) * src/Tesselation/ellipsoid.hpp (moved) * src/Tesselation/tesselation.cpp (moved) * src/Tesselation/tesselation.hpp (moved) * src/Tesselation/tesselationhelpers.cpp (moved) * src/Tesselation/tesselationhelpers.hpp (moved) * src/Tesselation/triangleintersectionlist.cpp (moved) * src/Tesselation/triangleintersectionlist.hpp (moved) * src/analysis_correlation.cpp (modified) * src/atom.hpp (modified) * src/builder_init.cpp (modified) * src/linkedcell.cpp (modified) * src/molecule.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/TesselationUnitTest.cpp (modified) * src/unittests/TesselationUnitTest.hpp (modified) * src/unittests/Tesselation_BoundaryTriangleUnitTest.cpp (modified) * src/unittests/Tesselation_BoundaryTriangleUnitTest.hpp (modified) * src/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified) * src/unittests/Tesselation_InsideOutsideUnitTest.hpp (modified) Moved modules related to Tesselation into own source subfolder. - ... Thu, 13 Oct 2011 19:00:47 GMT Frederik Heber [bc28b0] * src/Dynamics/LinearInterpolationBetweenSteps.hpp (modified) * src/Dynamics/MinimiseConstrainedPotential.cpp (modified) * src/Dynamics/VerletForceIntegration.hpp (modified) * src/Fragmentation/analyzer.cpp (moved) * src/Fragmentation/datacreator.cpp (moved) * src/Fragmentation/datacreator.hpp (moved) * src/Fragmentation/joiner.cpp (moved) * src/Fragmentation/parser.cpp (moved) * src/Fragmentation/parser.hpp (moved) * src/Graph/BondGraph.cpp (modified) * src/Makefile.am (modified) * src/atom.cpp (modified) * src/atom_atominfo.cpp (modified) Moved modules associated with fragmentation into source subfolder ... Thu, 13 Oct 2011 14:02:41 GMT Frederik Heber [a8b10a] * src/Makefile.am (modified) FIX: Shifted ANALYSIS... in src/Makefile.am to alphabetical ordering. Mon, 10 Oct 2011 16:58:24 GMT Frederik Heber [f08ae7] * LinearAlgebra/configure.ac (modified) * LinearAlgebra/src/LinearAlgebra/Makefile.am (modified) * LinearAlgebra/src/unittests/Makefile.am (modified) * configure.ac (modified) * m4/ax_codepatterns.m4 (modified) * m4/boost.m4 (modified) * src/Actions/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/RandomNumbers/Makefile.am (modified) * src/RandomNumbers/unittests/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/unittests/Makefile.am (modified) Extension of usage of Tsuna's boost.m4 macro. - boost.m4 from ... Thu, 06 Oct 2011 16:06:10 GMT Frederik Heber [7188b1] * configure.ac (modified) * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeScene.cpp (deleted) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeScene.hpp (deleted) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/atom_atominfo.cpp (modified) * src/atom_atominfo.hpp (modified) * src/atom_bondedparticleinfo.cpp (modified) * src/atom_bondedparticleinfo.hpp (modified) * src/atom_observable.cpp (added) * src/atom_observable.hpp (added) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) Introduced atom_observables and GLWorldView observes World, ... Thu, 06 Oct 2011 12:08:31 GMT Frederik Heber [bd8788] * src/Makefile.am (modified) src/Makefile.am: Adding to variable bin_PRORGRAMS. Wed, 05 Oct 2011 09:18:20 GMT Frederik Heber [807c0e] * src/Actions/Makefile.am (modified) * src/Actions/MoleculeAction/CreateMicelleAction.cpp (moved) * src/Actions/MoleculeAction/CreateMicelleAction.def (added) * src/Actions/MoleculeAction/CreateMicelleAction.hpp (added) * src/Makefile.am (modified) Daniel has recently changed his mizelledata to work as an action ... Wed, 05 Oct 2011 09:18:20 GMT Frederik Heber [e2e0a5a] * src/Makefile.am (modified) * src/mizelledata.cpp (added) Added Daniels version from 2010/09/15 and Makefile stuff to this ... Fri, 30 Sep 2011 08:19:37 GMT Frederik Heber [fec381] * src/Makefile.am (modified) Replaced molecuilder's CXXFLAGS by AM_CPPFLAGS instead of only ... Fri, 30 Sep 2011 08:19:37 GMT Frederik Heber [79de12] * LinearAlgebra/configure.ac (modified) * LinearAlgebra/src/unittests/Makefile.am (modified) * configure.ac (modified) * m4/ax_boost_base.m4 (deleted) * m4/ax_boost_filesystem.m4 (deleted) * m4/ax_boost_program_options.m4 (deleted) * m4/ax_boost_system.m4 (deleted) * m4/ax_codepatterns.m4 (modified) * m4/boost.m4 (added) * m4/m4_ax_boost_thread.m4 (deleted) * src/Descriptors/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/Parser/unittests/Makefile.am (modified) * src/RandomNumbers/unittests/Makefile.am (modified) * src/Shapes/unittests/Makefile.am (modified) * src/UIElements/CommandLineUI/unittests/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) Replaced *_boost_*.m4 by boost.m4 from tsuna. - ... Thu, 21 Apr 2011 17:45:59 GMT Frederik Heber [8544a33] * src/Makefile.am (modified) DISTFIX: Missing header file World_calculations.hpp in src/Makefile.am. Thu, 21 Apr 2011 16:29:49 GMT Frederik Heber [db3dd2] * src/Makefile.am (modified) DISTFIX: molecuilder_DATA was missing in EXTRA_DIST. - caused ... Thu, 21 Apr 2011 16:28:17 GMT Frederik Heber [36f507] * src/Makefile.am (modified) DISTFIX: Added missing header files to src/Makefile.am. - missing: ... Thu, 21 Apr 2011 16:27:32 GMT Frederik Heber [9cd9ab] * src/Makefile.am (modified) FIX: version.c is now included in MOLECUILDERSOURCE in ... Mon, 18 Apr 2011 12:45:06 GMT Frederik Heber [455573] * configure.ac (modified) * src/Actions/Makefile.am (modified) * src/Actions/unittests/ActionRegistryUnitTest.cpp (modified) * src/Actions/unittests/Makefile.am (modified) * src/Descriptors/unittests/Makefile.am (modified) * src/Graph/Makefile.am (modified) * src/Makefile.am (modified) * src/Parser/Makefile.am (modified) * src/Parser/unittests/Makefile.am (modified) * src/RandomNumbers/Makefile.am (modified) * src/RandomNumbers/unittests/Makefile.am (modified) * src/Shapes/Makefile.am (modified) * src/Shapes/unittests/Makefile.am (modified) * src/UIElements/CommandLineUI/unittests/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) Large Commit: SUBDIRS in src/Makefile.am replaced by include. - ... Fri, 08 Apr 2011 15:48:50 GMT Frederik Heber [bf4b9f] * LinearAlgebra/.gitignore (added) * LinearAlgebra/AUTHORS (added) * LinearAlgebra/COPYING (added) * LinearAlgebra/ChangeLog (added) * LinearAlgebra/INSTALL (added) * LinearAlgebra/LinearAlgebra-debug.pc.in (added) * LinearAlgebra/LinearAlgebra.pc.in (moved) * LinearAlgebra/Makefile.am (added) * LinearAlgebra/NEWS (added) * LinearAlgebra/README (added) * LinearAlgebra/bootstrap (added) * LinearAlgebra/build-aux/README (added) * LinearAlgebra/configure.ac (added) * LinearAlgebra/doc/Doxyfile (added) * LinearAlgebra/doc/Makefile.am (added) * LinearAlgebra/libLinearAlgebra_config.h.in (added) * LinearAlgebra/m4 (added) * LinearAlgebra/src/LinearAlgebra/BoxVector.cpp (moved) * LinearAlgebra/src/LinearAlgebra/BoxVector.hpp (moved) * LinearAlgebra/src/LinearAlgebra/Exceptions.hpp (moved) * LinearAlgebra/src/LinearAlgebra/Line.cpp (moved) * LinearAlgebra/src/LinearAlgebra/Line.hpp (moved) * LinearAlgebra/src/LinearAlgebra/LineSegment.cpp (moved) * LinearAlgebra/src/LinearAlgebra/LineSegment.hpp (moved) * LinearAlgebra/src/LinearAlgebra/LineSegmentSet.cpp (moved) * LinearAlgebra/src/LinearAlgebra/LineSegmentSet.hpp (moved) * LinearAlgebra/src/LinearAlgebra/LinearSystemOfEquations.cpp (moved) * LinearAlgebra/src/LinearAlgebra/LinearSystemOfEquations.hpp (moved) * LinearAlgebra/src/LinearAlgebra/Makefile.am (moved) * LinearAlgebra/src/LinearAlgebra/MatrixContent.cpp (moved) * LinearAlgebra/src/LinearAlgebra/MatrixContent.hpp (moved) * LinearAlgebra/src/LinearAlgebra/MatrixVector_ops.cpp (moved) * LinearAlgebra/src/LinearAlgebra/MatrixVector_ops.hpp (moved) * LinearAlgebra/src/LinearAlgebra/Plane.cpp (moved) * LinearAlgebra/src/LinearAlgebra/Plane.hpp (moved) * LinearAlgebra/src/LinearAlgebra/RealSpaceMatrix.cpp (moved) * LinearAlgebra/src/LinearAlgebra/RealSpaceMatrix.hpp (moved) * LinearAlgebra/src/LinearAlgebra/Space.cpp (moved) * LinearAlgebra/src/LinearAlgebra/Space.hpp (moved) * LinearAlgebra/src/LinearAlgebra/Vector.cpp (moved) * LinearAlgebra/src/LinearAlgebra/Vector.hpp (moved) * LinearAlgebra/src/LinearAlgebra/VectorContent.cpp (moved) * LinearAlgebra/src/LinearAlgebra/VectorContent.hpp (moved) * LinearAlgebra/src/LinearAlgebra/VectorInterface.cpp (moved) * LinearAlgebra/src/LinearAlgebra/VectorInterface.hpp (moved) * LinearAlgebra/src/LinearAlgebra/VectorSet.hpp (moved) * LinearAlgebra/src/LinearAlgebra/defs.hpp (moved) * LinearAlgebra/src/LinearAlgebra/fast_functions.hpp (moved) * LinearAlgebra/src/LinearAlgebra/leastsquaremin.cpp (moved) * LinearAlgebra/src/LinearAlgebra/leastsquaremin.hpp (moved) * LinearAlgebra/src/LinearAlgebra/vector_ops.cpp (moved) * LinearAlgebra/src/LinearAlgebra/vector_ops.hpp (moved) * LinearAlgebra/src/unittests/LineUnitTest.cpp (moved) * LinearAlgebra/src/unittests/LineUnitTest.hpp (moved) * LinearAlgebra/src/unittests/LinearSystemOfEquationsUnitTest.cpp (moved) * LinearAlgebra/src/unittests/LinearSystemOfEquationsUnitTest.hpp (moved) * LinearAlgebra/src/unittests/Makefile.am (moved) * LinearAlgebra/src/unittests/MatrixContentSymmetricUnitTest.cpp (moved) * LinearAlgebra/src/unittests/MatrixContentSymmetricUnitTest.hpp (moved) * LinearAlgebra/src/unittests/MatrixContentUnitTest.cpp (moved) * LinearAlgebra/src/unittests/MatrixContentUnitTest.hpp (moved) * LinearAlgebra/src/unittests/MatrixUnitTest.cpp (moved) * LinearAlgebra/src/unittests/MatrixUnitTest.hpp (moved) * LinearAlgebra/src/unittests/PlaneUnitTest.cpp (moved) * LinearAlgebra/src/unittests/PlaneUnitTest.hpp (moved) * LinearAlgebra/src/unittests/TestRunnerMain.cpp (added) * LinearAlgebra/src/unittests/UnitTestMain.cpp (added) * LinearAlgebra/src/unittests/VectorContentUnitTest.cpp (moved) * LinearAlgebra/src/unittests/VectorContentUnitTest.hpp (moved) * LinearAlgebra/src/unittests/VectorUnitTest.cpp (moved) * LinearAlgebra/src/unittests/VectorUnitTest.hpp (moved) * LinearAlgebra/tests/CodeChecks/Makefile.am (added) * LinearAlgebra/tests/CodeChecks/atlocal.in (added) * LinearAlgebra/tests/CodeChecks/testsuite-config_h.at (added) * LinearAlgebra/tests/CodeChecks/testsuite-memdebug.at (added) * LinearAlgebra/tests/CodeChecks/testsuite.at (added) * Makefile.am (modified) * bootstrap (modified) * build-aux/README (added) * config/depcomp (deleted) * config/install-sh (deleted) * config/ltmain.sh (deleted) * config/missing (deleted) * configure.ac (modified) * src/Actions/Makefile.am (modified) * src/Actions/unittests/Makefile.am (modified) * src/Descriptors/unittests/Makefile.am (modified) * src/Graph/Makefile.am (modified) * src/Makefile.am (modified) * src/Parser/Makefile.am (modified) * src/Parser/unittests/Makefile.am (modified) * src/Shapes/Makefile.am (modified) * src/Shapes/unittests/Makefile.am (modified) * src/UIElements/CommandLineUI/unittests/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) Moved LinearAlgebra from folder src/ into distinct sub-package. - ... Wed, 06 Apr 2011 13:50:42 GMT Frederik Heber [3e2225f] * configure.ac (modified) * src/Actions/unittests/Makefile.am (modified) * src/Descriptors/unittests/Makefile.am (modified) * src/Exceptions/CustomException.cpp (deleted) * src/Exceptions/CustomException.hpp (deleted) * src/Exceptions/Makefile.am (deleted) * src/Makefile.am (modified) * src/Parser/unittests/Makefile.am (modified) * src/Shapes/Makefile.am (modified) * src/Shapes/unittests/Makefile.am (modified) * src/UIElements/CommandLineUI/unittests/Makefile.am (modified) * src/UIElements/Menu/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) Removed subdir Exceptions and libMolecuilderExceptions. - changes ... Wed, 06 Apr 2011 13:50:41 GMT Frederik Heber [255829] * configure.ac (modified) * src/BoundaryPolygonSet.cpp (modified) * src/ConfigFileBuffer.cpp (modified) * src/Dynamics/MinimiseConstrainedPotential.cpp (modified) * src/Dynamics/OutputTemperature.hpp (modified) * src/Dynamics/VerletForceIntegration.hpp (modified) * src/Formula.hpp (modified) * src/Graph/CheckAgainstAdjacencyFile.cpp (modified) * src/Helpers/Makefile.am (deleted) * src/Helpers/defs.hpp (modified) * src/Helpers/helpers.cpp (deleted) * src/Helpers/helpers.hpp (modified) * src/Makefile.am (modified) * src/Parser/unittests/ParserPcpUnitTest.cpp (modified) * src/Parser/unittests/ParserPdbUnitTest.cpp (modified) * src/Parser/unittests/ParserXyzUnitTest.cpp (modified) * src/Shapes/unittests/Makefile.am (modified) * src/Thermostats/Berendsen.cpp (modified) * src/Thermostats/GaussianThermostat.cpp (modified) * src/Thermostats/Langevin.cpp (modified) * src/Thermostats/NoseHoover.cpp (modified) * src/Thermostats/Woodcock.cpp (modified) * src/UIElements/Views/Qt4/QtStatusBar.cpp (modified) * src/analysis_correlation.hpp (modified) * src/analyzer.cpp (modified) * src/atom.hpp (modified) * src/boundary.cpp (modified) * src/config.cpp (modified) * src/datacreator.cpp (modified) * src/joiner.cpp (modified) * src/linkedcell.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/tesselation.hpp (modified) * src/triangleintersectionlist.cpp (modified) * src/unittests/ListOfBondsUnitTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/TesselationUnitTest.cpp (modified) * src/unittests/Tesselation_BoundaryTriangleUnitTest.cpp (modified) * src/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified) Removed Helpers.hpp, deleted Helpers.cpp and libMoleCuilderHelpers.la ... Wed, 06 Apr 2011 13:50:40 GMT Frederik Heber [a9c556] * src/LinearAlgebra/Eigenspace.cpp (deleted) * src/LinearAlgebra/Eigenspace.hpp (deleted) * src/LinearAlgebra/Makefile.am (modified) * src/LinearAlgebra/Subspace.cpp (deleted) * src/LinearAlgebra/Subspace.hpp (deleted) * src/Makefile.am (modified) * src/SubspaceFactorizer.cpp (deleted) * src/unittests/Makefile.am (modified) * src/unittests/SubspaceFactorizerUnitTest.cpp (deleted) * src/unittests/SubspaceFactorizerUnitTest.hpp (deleted) Removed Subspace stuff from this project. - has been relayed along ... Mon, 07 Mar 2011 11:40:27 GMT Frederik Heber [dda246] * configure.ac (modified) * src/Helpers/Makefile.am (added) * src/LinearAlgebra/Makefile.am (modified) * src/LinearAlgebra/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/Shapes/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) Made Helpers into commodity library to prevent double inclusion. - ... Wed, 02 Mar 2011 21:53:08 GMT Frederik Heber [e73ad9a] * src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified) * src/Actions/Makefile.am (modified) * src/Graph/CyclicStructureAnalysis.cpp (added) * src/Graph/CyclicStructureAnalysis.hpp (added) * src/Graph/Makefile.am (modified) * src/Makefile.am (modified) * src/molecule.hpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_graph.cpp (modified) Moved CyclicStructureAnalysis from molecule_graph.cpp into own ... Wed, 02 Mar 2011 21:53:08 GMT Frederik Heber [129204] * src/Actions/FragmentationAction/CreateAdjacencyAction.cpp (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified) * src/Actions/MoleculeAction/CopyAction.cpp (modified) * src/Bond/GraphEdge.cpp (added) * src/Bond/GraphEdge.hpp (added) * src/Bond/bond.cpp (moved) * src/Bond/bond.hpp (moved) * src/Graph/BondGraph.cpp (modified) * src/Graph/BondGraph.hpp (modified) * src/Graph/BreadthFirstSearchAdd.cpp (modified) * src/Graph/BreadthFirstSearchAdd.hpp (modified) * src/Makefile.am (modified) * src/Parser/PdbParser.cpp (modified) * src/Parser/TremoloParser.cpp (modified) * src/analysis_bonds.cpp (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/boundary.cpp (modified) * src/config.cpp (modified) * src/graph.cpp (modified) * src/molecule.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/AnalysisBondsUnitTest.cpp (modified) * src/unittests/BondGraphUnitTest.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (modified) * src/unittests/ListOfBondsUnitTest.cpp (modified) Moved bond.* to Bond/, new class GraphEdge which contains graph parts ... Wed, 02 Mar 2011 21:53:07 GMT Frederik Heber [53d6b2] * configure.ac (modified) * src/Graph/BreadthFirstSearchAdd.cpp (added) * src/Graph/BreadthFirstSearchAdd.hpp (added) * src/Graph/Makefile.am (added) * src/Makefile.am (modified) * src/molecule.hpp (modified) * src/molecule_graph.cpp (modified) Moved unused function BreadthFirstSearchAdd and subfunctions into ... Wed, 02 Mar 2011 21:53:07 GMT Frederik Heber [341f22] * src/Makefile.am (modified) * src/molecule_dynamics.cpp (deleted) Removed molecule_dynamics.cpp Wed, 02 Mar 2011 21:48:20 GMT Frederik Heber [435065] * src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.def (modified) * src/Dynamics/VerletForceIntegration.hpp (added) * src/Makefile.am (modified) * src/atom_atominfo.cpp (modified) * src/atom_atominfo.hpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) * tests/regression/Molecules/VerletIntegration/post/test.conf (moved) * tests/regression/Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at (modified) Rewrote VerletForceIntegration into a functor in Dynamics/. - we ... Tue, 01 Mar 2011 13:17:09 GMT Frederik Heber [8009ce] * src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.def (modified) * src/AtomSet.hpp (modified) * src/Dynamics/OutputTemperature.hpp (added) * src/Makefile.am (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * tests/regression/Molecules/SaveTemperature/testsuite-molecules-save-temperature.at (modified) Rewrote OutputTemperature into a functor in Dynamics/ - formerly ... Tue, 01 Mar 2011 13:17:09 GMT Frederik Heber [20943b] * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified) * src/Dynamics/LinearInterpolationBetweenSteps.hpp (added) * src/Makefile.am (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) Rewrote LinearInterpolationBetweenSteps into a functor in Dynamics/ ... Tue, 01 Mar 2011 13:17:09 GMT Frederik Heber [9e23a3] * src/Dynamics/MinimiseConstrainedPotential.cpp (added) * src/Dynamics/MinimiseConstrainedPotential.hpp (added) * src/Makefile.am (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) Rewrote MinimiseConstrainedPotential into a functor in Dynamics/. - ... Tue, 01 Mar 2011 13:17:09 GMT Frederik Heber [632508] * src/Actions/CommandAction/BondLengthTableAction.cpp (modified) * src/Actions/CommandAction/BondLengthTableAction.def (modified) * src/Actions/FragmentationAction/CreateAdjacencyAction.cpp (modified) * src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified) * src/Actions/MoleculeAction/BondFileAction.cpp (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified) * src/Actions/MoleculeAction/SaveBondsAction.cpp (modified) * src/Graph/BondGraph.cpp (moved) * src/Graph/BondGraph.hpp (moved) * src/Makefile.am (modified) * src/World.cpp (modified) * src/builder_init.cpp (modified) * src/config.cpp (modified) * src/molecule.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/AnalysisBondsUnitTest.cpp (modified) * src/unittests/BondGraphUnitTest.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (modified) Moved files bondgraph.?pp -> Graph/BondGraph.?pp. Tue, 01 Mar 2011 10:16:38 GMT Frederik Heber [5702cdb] * src/Makefile.am (modified) * src/molecule.hpp (modified) * src/molecule_pointcloud.cpp (deleted) Removed molecule_pointcloud.cpp. Tue, 01 Mar 2011 10:16:38 GMT Frederik Heber [34c43a] * configure.ac (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/FragmentationAction/ConstructBondGraphAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/IPointCloud.hpp (added) * src/Makefile.am (modified) * src/PointCloud.cpp (deleted) * src/PointCloud.hpp (deleted) * src/PointCloudAdaptor.hpp (added) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/ellipsoid.cpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_graph.cpp (modified) * src/molecule_pointcloud.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/TesselationUnitTest.cpp (modified) * src/unittests/TesselationUnitTest.hpp (modified) * src/unittests/Tesselation_BoundaryTriangleUnitTest.hpp (modified) * src/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified) * src/unittests/Tesselation_InsideOutsideUnitTest.hpp (modified) * tests/regression/Tesselation/BigConvex/testsuite-tesselation-big-convex-envelope.at (modified) * tests/regression/Tesselation/BigNonConvex/testsuite-tesselation-big-non-convex-envelope.at (modified) * tests/regression/Tesselation/Convex/testsuite-tesselation-convex-envelope.at (modified) * tests/regression/Tesselation/NonConvex/testsuite-tesselation-non-convex-envelope.at (modified) Bigger change: Replaced PointCloud by PointCloudAdaptor. - ... Thu, 24 Feb 2011 19:43:03 GMT Frederik Heber [03c77c] * src/ConfigFileBuffer.cpp (modified) * src/Makefile.am (modified) * src/atom.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/bond.cpp (modified) * src/bond.hpp (modified) * src/config.cpp (modified) * src/graph.hpp (modified) * src/lists.hpp (deleted) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/periodentafel.cpp (modified) * src/unittests/BondGraphUnitTest.cpp (modified) bonds::previous and ::next removed, lists.hpp deleted. - the last ... Thu, 24 Feb 2011 17:46:46 GMT Frederik Heber [6625c3] * src/AtomSet.hpp (modified) * src/Makefile.am (modified) * src/Parser/PcpParser.cpp (modified) * src/Thermostats/Berendsen.cpp (modified) * src/Thermostats/GaussianThermostat.cpp (modified) * src/Thermostats/Langevin.cpp (modified) * src/Thermostats/Langevin.hpp (modified) * src/Thermostats/NoseHoover.cpp (modified) * src/Thermostats/Woodcock.cpp (modified) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/atom_atominfo.cpp (modified) * src/atom_atominfo.hpp (modified) * src/atom_trajectoryparticle.cpp (deleted) * src/atom_trajectoryparticle.hpp (deleted) * src/atom_trajectoryparticleinfo.cpp (deleted) * src/atom_trajectoryparticleinfo.hpp (deleted) * src/config.cpp (modified) * src/molecule.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_geometry.cpp (modified) Removed atom_trajectoryparticle*, replaced by AtomInfo class now ... Thu, 24 Feb 2011 16:05:50 GMT Frederik Heber [6bb605] * src/Actions/WorldAction/SetWorldTimeAction.cpp (modified) * src/Makefile.am (modified) * src/WorldTime.cpp (modified) * src/WorldTime.hpp (modified) * src/unittests/WorldTimeUnitTest.cpp (modified) Worldtime now has static CurrentTime and static (inline) ... Thu, 24 Feb 2011 15:54:52 GMT Frederik Heber [f649de] * src/Makefile.am (modified) * src/WorldTime.cpp (added) * src/WorldTime.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/WorldTimeUnitTest.cpp (added) * src/unittests/WorldTimeUnitTest.hpp (added) Implemented class WorldTime. - WorldTime contains the current, ... Thu, 03 Feb 2011 09:59:28 GMT Frederik Heber [1ee3b8d] * configure.ac (modified) * src/Actions/unittests/Makefile.am (modified) * src/Descriptors/unittests/Makefile.am (modified) * src/LinearAlgebra/Makefile.am (modified) * src/Makefile.am (modified) * src/Parser/unittests/Makefile.am (modified) * src/RandomNumbers/Makefile.am (added) * src/RandomNumbers/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) Made RandomNumbers sources into its own library ... Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber [081e5d] * src/Makefile.am (modified) * src/RandomNumbers/RandomNumberDistribution.hpp (modified) * src/RandomNumbers/RandomNumberDistributionFactory.def (modified) * src/RandomNumbers/RandomNumberDistribution_Encapsulation.cpp (added) * src/RandomNumbers/RandomNumberDistribution_Encapsulation.hpp (modified) * src/RandomNumbers/RandomNumberEngine.hpp (modified) * src/RandomNumbers/RandomNumberEngineFactory.def (modified) * src/RandomNumbers/RandomNumberEngine_Encapsulation.cpp (added) * src/RandomNumbers/RandomNumberEngine_Encapsulation.hpp (modified) * src/RandomNumbers/RandomNumberGeneratorFactory.def (modified) * src/RandomNumbers/unittests/Makefile.am (modified) * src/RandomNumbers/unittests/RandomNumberDistributionFactoryUnitTest.cpp (modified) * src/RandomNumbers/unittests/RandomNumberEngineFactoryUnitTest.cpp (modified) Implemented all possible parameter functions for engine and ... Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber [15911c] * src/Makefile.am (modified) * src/RandomNumbers/RandomNumberDistribution.hpp (modified) * src/RandomNumbers/RandomNumberEngine.hpp (modified) * src/RandomNumbers/RandomNumberGenerator.cpp (modified) * src/RandomNumbers/RandomNumberGenerator.hpp (modified) * src/RandomNumbers/RandomNumberGenerator_Encapsulation.hpp (modified) * src/RandomNumbers/unittests/Makefile.am (modified) Made some cstor of RandomNumber... protected. - ... Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber [1d5a871] * configure.ac (modified) * src/Makefile.am (modified) * src/RandomNumbers/Creator_impl.hpp (deleted) * src/RandomNumbers/RandomNumberDistributionFactory.cpp (modified) * src/RandomNumbers/RandomNumberDistributionFactory.def (modified) * src/RandomNumbers/RandomNumberDistributionFactory.hpp (modified) * src/RandomNumbers/RandomNumberDistributionFactory.undef (modified) * src/RandomNumbers/RandomNumberDistribution_Creator.hpp (deleted) * src/RandomNumbers/RandomNumberDistribution_Encapsulation.hpp (modified) * src/RandomNumbers/RandomNumberEngineFactory.cpp (modified) * src/RandomNumbers/RandomNumberEngineFactory.def (modified) * src/RandomNumbers/RandomNumberEngineFactory.hpp (modified) * src/RandomNumbers/RandomNumberEngineFactory.undef (modified) * src/RandomNumbers/RandomNumberEngine_Creator.hpp (deleted) * src/RandomNumbers/RandomNumberEngine_Encapsulation.hpp (modified) * src/RandomNumbers/RandomNumberGeneratorFactory.cpp (modified) * src/RandomNumbers/RandomNumberGeneratorFactory.def (added) * src/RandomNumbers/RandomNumberGeneratorFactory.hpp (modified) * src/RandomNumbers/RandomNumberGeneratorFactory.undef (added) * src/RandomNumbers/RandomNumberGenerator_Creator.hpp (deleted) * src/RandomNumbers/RandomNumberGenerator_Encapsulation.hpp (modified) * src/RandomNumbers/TemplatePowerSetGenerator.hpp (modified) * src/RandomNumbers/unittests/RandomNumberDistributionFactoryUnitTest.cpp (modified) * src/RandomNumbers/unittests/RandomNumberEngineFactoryUnitTest.cpp (modified) * src/builder_init.cpp (modified) Factored out Factory pattern (no pun intended). - the Factory ... Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber [c9bc2b7] * src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.cpp (modified) * src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.cpp (modified) * src/Makefile.am (modified) * src/RandomNumbers/Creator_impl.hpp (added) * src/RandomNumbers/EmptyPrototypeTable.hpp (added) * src/RandomNumbers/RandomNumberDistributionFactory.cpp (added) * src/RandomNumbers/RandomNumberDistributionFactory.def (added) * src/RandomNumbers/RandomNumberDistributionFactory.hpp (added) * src/RandomNumbers/RandomNumberDistributionFactory.undef (added) * src/RandomNumbers/RandomNumberDistribution_Creator.hpp (added) * src/RandomNumbers/RandomNumberDistribution_Encapsulation.hpp (modified) * src/RandomNumbers/RandomNumberEngineFactory.cpp (added) * src/RandomNumbers/RandomNumberEngineFactory.def (moved) * src/RandomNumbers/RandomNumberEngineFactory.hpp (added) * src/RandomNumbers/RandomNumberEngineFactory.undef (added) * src/RandomNumbers/RandomNumberEngine_Creator.hpp (added) * src/RandomNumbers/RandomNumberEngine_Encapsulation.hpp (modified) * src/RandomNumbers/RandomNumberGeneratorFactory.cpp (modified) * src/RandomNumbers/RandomNumberGeneratorFactory.hpp (modified) * src/RandomNumbers/RandomNumberGeneratorFactory.undef (deleted) * src/RandomNumbers/RandomNumberGenerator_Creator.hpp (added) * src/RandomNumbers/RandomNumberGenerator_Encapsulation.hpp (modified) * src/RandomNumbers/TemplatePowerSetGenerator.hpp (modified) * src/RandomNumbers/unittests/Makefile.am (modified) * src/RandomNumbers/unittests/RandomNumberDistributionFactoryUnitTest.cpp (added) * src/RandomNumbers/unittests/RandomNumberDistributionFactoryUnitTest.hpp (added) * src/RandomNumbers/unittests/RandomNumberEngineFactoryUnitTest.cpp (added) * src/RandomNumbers/unittests/RandomNumberEngineFactoryUnitTest.hpp (added) * src/RandomNumbers/unittests/RandomNumberGeneratorFactoryUnitTest.cpp (modified) * src/RandomNumbers/unittests/RandomNumberGeneratorFactoryUnitTest.hpp (modified) * src/RandomNumbers/unittests/RandomNumberGeneratorUnitTest.cpp (added) * src/RandomNumbers/unittests/RandomNumberGeneratorUnitTest.hpp (added) * src/builder_init.cpp (modified) Bigger rewrite of RandomNumbers ... due to cloning of prototypes. - ... Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber [3f9eba] * configure.ac (modified) * src/Actions/Makefile.am (modified) * src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.cpp (added) * src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.def (added) * src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.hpp (added) * src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.cpp (added) * src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.def (added) * src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.hpp (added) * src/Makefile.am (modified) * src/RandomNumbers/RandomNumberDistribution.hpp (added) * src/RandomNumbers/RandomNumberDistribution_Encapsulation.hpp (added) * src/RandomNumbers/RandomNumberEngine.hpp (added) * src/RandomNumbers/RandomNumberEngine_Encapsulation.hpp (added) * src/RandomNumbers/RandomNumberGenerator.cpp (added) * src/RandomNumbers/RandomNumberGenerator.hpp (added) * src/RandomNumbers/RandomNumberGeneratorFactory.cpp (added) * src/RandomNumbers/RandomNumberGeneratorFactory.def (added) * src/RandomNumbers/RandomNumberGeneratorFactory.hpp (added) * src/RandomNumbers/RandomNumberGeneratorFactory.undef (added) * src/RandomNumbers/RandomNumberGenerator_Encapsulation.hpp (added) * src/RandomNumbers/TemplatePowerSetGenerator.hpp (added) * src/RandomNumbers/unittests/Makefile.am (added) * src/RandomNumbers/unittests/RandomNumberGeneratorFactoryUnitTest.cpp (added) * src/RandomNumbers/unittests/RandomNumberGeneratorFactoryUnitTest.hpp (added) * src/builder_init.cpp (modified) * src/unittests/Makefile.am (modified) * tests/regression/Makefile.am (modified) * tests/regression/RandomNumbers/Distribution/testsuite-set-random-number-distribution.at (added) * tests/regression/RandomNumbers/Engine/testsuite-set-random-number-engine.at (added) * tests/regression/RandomNumbers/testsuite-randomnumbers.at (added) * tests/regression/testsuite.at (modified) New classes for random number generation. - we use boost::random as ... Thu, 03 Feb 2011 09:51:14 GMT Frederik Heber [e5bf2b] * src/Actions/Makefile.am (modified) * src/Exceptions/Makefile.am (modified) * src/LinearAlgebra/Makefile.am (modified) * src/Makefile.am (modified) * src/Parser/Makefile.am (modified) * src/Shapes/Makefile.am (modified) * src/UIElements/Makefile.am (modified) removed CPPUNIT_LIBS/FLAGS from most Makefile.am and LIBS/libs -> ... Thu, 23 Dec 2010 17:41:54 GMT Frederik Heber [6d2207] * configure.ac (modified) * src/Actions/unittests/Makefile.am (modified) * src/Descriptors/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/Parser/unittests/Makefile.am (modified) * src/Shapes/Makefile.am (added) * src/Shapes/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) FIX: Forgot Shapes/unittests and made Shapes into own library. - ...