#
# ChangeLog for tests/Makefile.am
#
# Generated by Trac 1.4.4
# Jan 1, 2025, 7:44:43 AM

Tue, 10 Jul 2012 15:41:00 GMT Frederik Heber <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 ...


Wed, 28 Dec 2011 15:24:57 GMT Frederik Heber <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, 13 Oct 2011 19:00:40 GMT Frederik Heber <heber@…> [878044]
	* configure.ac (modified)
	* tests/Fragmentations/Analyzing/heptan/post/plots/DeltaEnergies-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/DeltaEnergies-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/DeltaForces-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/DeltaMaxForces-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/DeltaMaxForces-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/DeltaMeanForces-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/DeltaMeanForces-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/DeltaMinForces-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/DeltaMinForces-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/DeltaMinMeanMaxTotalForce-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/DeltaSimTime-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/Energies-Fragment.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/Energies-Fragment.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/Energies-FragmentOrder.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/Energies-FragmentOrder.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/Energies-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/Energies-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/Forces-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/Makefile (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MaxEnergies-FragmentOrder.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MaxEnergies-FragmentOrder.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MaxForces-Fragment.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MaxForces-Fragment.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MaxForces-FragmentOrder.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MaxForces-FragmentOrder.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MaxForces-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MaxForces-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MeanForces-Fragment.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MeanForces-Fragment.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MeanForces-FragmentOrder.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MeanForces-FragmentOrder.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MeanForces-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MeanForces-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MinEnergies-FragmentOrder.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MinEnergies-FragmentOrder.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MinForces-Fragment.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MinForces-Fragment.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MinForces-FragmentOrder.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MinForces-FragmentOrder.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MinForces-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MinForces-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/MinMeanMaxTotalForce-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/SimTime-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/SimTime-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/VectorSum-Order.dat (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/VectorSum-Order.pyx (added)
	* tests/Fragmentations/Analyzing/heptan/post/plots/energy-forces.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment00/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment00/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment00/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment00/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment00/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment01/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment01/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment01/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment01/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment01/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment02/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment02/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment02/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment02/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment02/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment03/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment03/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment03/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment03/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment03/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment04/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment04/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment04/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment04/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment04/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment05/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment05/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment05/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment05/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment05/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment06/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment06/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment06/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment06/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment06/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment07/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment07/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment07/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment07/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment07/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment08/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment08/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment08/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment08/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment08/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment09/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment09/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment09/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment09/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment09/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment10/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment10/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment10/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment10/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment10/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment11/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment11/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment11/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment11/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment11/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment12/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment12/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment12/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment12/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment12/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment13/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment13/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment13/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment13/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment13/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment14/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment14/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment14/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment14/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment14/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment15/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment15/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment15/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment15/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment15/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment16/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment16/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment16/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment16/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment16/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment17/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment17/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment17/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment17/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment17/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment18/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment18/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment18/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment18/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment18/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment19/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment19/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment19/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment19/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment19/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment20/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment20/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment20/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment20/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment20/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment21/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment21/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment21/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment21/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragment21/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragmentForces-Factors.dat (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/BondFragmentKeySets.dat (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.Order1.energy.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.Order1.forces.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.Order2.energy.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.Order2.forces.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.Order3.energy.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.Order3.forces.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.Order4.energy.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.Order4.forces.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.energy.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.energyfragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.forcefragment.all (added)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.forces.all (moved)
	* tests/Fragmentations/Analyzing/heptan/pre/pcp.speed (moved)
	* tests/Fragmentations/Analyzing/heptan/testsuite-analyzing-heptan.at (added)
	* tests/Fragmentations/Fragmenting/1_2-dimethoxyethane/pre/1_2-dimethoxyethane.xyz (moved)
	* tests/Fragmentations/Fragmenting/1_2-dimethoxyethane/testsuite-fragmenting-1_2-dimethoxyethane-order1.at (moved)
	* tests/Fragmentations/Fragmenting/1_2-dimethoxyethane/testsuite-fragmenting-1_2-dimethoxyethane-order2.at (moved)
	* tests/Fragmentations/Fragmenting/1_2-dimethoxyethane/testsuite-fragmenting-1_2-dimethoxyethane-order3.at (moved)
	* tests/Fragmentations/Fragmenting/1_2-dimethoxyethane/testsuite-fragmenting-1_2-dimethoxyethane-order4.at (moved)
	* tests/Fragmentations/Fragmenting/1_2-dimethylbenzene/pre/1_2-dimethylbenzene.xyz (moved)
	* tests/Fragmentations/Fragmenting/1_2-dimethylbenzene/testsuite-fragmenting-1_2-dimethylbenzene-order1.at (moved)
	* tests/Fragmentations/Fragmenting/1_2-dimethylbenzene/testsuite-fragmenting-1_2-dimethylbenzene-order2.at (moved)
	* tests/Fragmentations/Fragmenting/1_2-dimethylbenzene/testsuite-fragmenting-1_2-dimethylbenzene-order3.at (moved)
	* tests/Fragmentations/Fragmenting/1_2-dimethylbenzene/testsuite-fragmenting-1_2-dimethylbenzene-order4.at (moved)
	* tests/Fragmentations/Fragmenting/2-methylcyclohexanone/pre/2-methylcyclohexanone.xyz (moved)
	* tests/Fragmentations/Fragmenting/2-methylcyclohexanone/testsuite-fragmenting-2-methylcyclohexanone-order1.at (moved)
	* tests/Fragmentations/Fragmenting/2-methylcyclohexanone/testsuite-fragmenting-2-methylcyclohexanone-order2.at (moved)
	* tests/Fragmentations/Fragmenting/2-methylcyclohexanone/testsuite-fragmenting-2-methylcyclohexanone-order3.at (moved)
	* tests/Fragmentations/Fragmenting/2-methylcyclohexanone/testsuite-fragmenting-2-methylcyclohexanone-order4.at (moved)
	* tests/Fragmentations/Fragmenting/2-methylcyclohexanone/testsuite-fragmenting-2-methylcyclohexanone-order5.at (moved)
	* tests/Fragmentations/Fragmenting/2-methylcyclohexanone/testsuite-fragmenting-2-methylcyclohexanone-order6.at (moved)
	* tests/Fragmentations/Fragmenting/N_N-dimethylacetamide/pre/N_N-dimethylacetamide.xyz (moved)
	* tests/Fragmentations/Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order1.at (moved)
	* tests/Fragmentations/Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order2.at (moved)
	* tests/Fragmentations/Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order3.at (moved)
	* tests/Fragmentations/Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order4.at (moved)
	* tests/Fragmentations/Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order5.at (moved)
	* tests/Fragmentations/Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order6.at (moved)
	* tests/Fragmentations/Fragmenting/benzene/pre/benzene.xyz (moved)
	* tests/Fragmentations/Fragmenting/benzene/testsuite-fragmenting-benzene-order1.at (moved)
	* tests/Fragmentations/Fragmenting/benzene/testsuite-fragmenting-benzene-order2.at (moved)
	* tests/Fragmentations/Fragmenting/benzene/testsuite-fragmenting-benzene-order3.at (moved)
	* tests/Fragmentations/Fragmenting/benzene/testsuite-fragmenting-benzene-order4.at (moved)
	* tests/Fragmentations/Fragmenting/benzene/testsuite-fragmenting-benzene-order5.at (moved)
	* tests/Fragmentations/Fragmenting/benzene/testsuite-fragmenting-benzene-order6.at (moved)
	* tests/Fragmentations/Fragmenting/cholesterol/pre/cholesterol.xyz (moved)
	* tests/Fragmentations/Fragmenting/cholesterol/testsuite-fragmenting-cholesterol-order1.at (moved)
	* tests/Fragmentations/Fragmenting/cholesterol/testsuite-fragmenting-cholesterol-order2.at (moved)
	* tests/Fragmentations/Fragmenting/cholesterol/testsuite-fragmenting-cholesterol-order3.at (moved)
	* tests/Fragmentations/Fragmenting/cholesterol/testsuite-fragmenting-cholesterol-order4.at (moved)
	* tests/Fragmentations/Fragmenting/cholesterol/testsuite-fragmenting-cholesterol-order5.at (moved)
	* tests/Fragmentations/Fragmenting/cholesterol/testsuite-fragmenting-cholesterol-order6.at (moved)
	* tests/Fragmentations/Fragmenting/cycloheptane/pre/cycloheptane.xyz (moved)
	* tests/Fragmentations/Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order1.at (moved)
	* tests/Fragmentations/Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order2.at (moved)
	* tests/Fragmentations/Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order3.at (moved)
	* tests/Fragmentations/Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order4.at (moved)
	* tests/Fragmentations/Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order5.at (moved)
	* tests/Fragmentations/Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order6.at (moved)
	* tests/Fragmentations/Fragmenting/dimethyl_bromomalonate/pre/dimethyl_bromomalonate.xyz (moved)
	* tests/Fragmentations/Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order1.at (moved)
	* tests/Fragmentations/Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order2.at (moved)
	* tests/Fragmentations/Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order3.at (moved)
	* tests/Fragmentations/Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order4.at (moved)
	* tests/Fragmentations/Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order5.at (moved)
	* tests/Fragmentations/Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order6.at (moved)
	* tests/Fragmentations/Fragmenting/glucose/pre/glucose.xyz (moved)
	* tests/Fragmentations/Fragmenting/glucose/testsuite-fragmenting-glucose-order1.at (moved)
	* tests/Fragmentations/Fragmenting/glucose/testsuite-fragmenting-glucose-order2.at (moved)
	* tests/Fragmentations/Fragmenting/glucose/testsuite-fragmenting-glucose-order3.at (moved)
	* tests/Fragmentations/Fragmenting/glucose/testsuite-fragmenting-glucose-order4.at (moved)
	* tests/Fragmentations/Fragmenting/glucose/testsuite-fragmenting-glucose-order5.at (moved)
	* tests/Fragmentations/Fragmenting/glucose/testsuite-fragmenting-glucose-order6.at (moved)
	* tests/Fragmentations/Fragmenting/heptan/pre/heptan.xyz (moved)
	* tests/Fragmentations/Fragmenting/heptan/testsuite-fragmenting-heptan-order1.at (moved)
	* tests/Fragmentations/Fragmenting/heptan/testsuite-fragmenting-heptan-order2.at (moved)
	* tests/Fragmentations/Fragmenting/heptan/testsuite-fragmenting-heptan-order3.at (moved)
	* tests/Fragmentations/Fragmenting/heptan/testsuite-fragmenting-heptan-order4.at (moved)
	* tests/Fragmentations/Fragmenting/heptan/testsuite-fragmenting-heptan-order5.at (moved)
	* tests/Fragmentations/Fragmenting/heptan/testsuite-fragmenting-heptan-order6.at (moved)
	* tests/Fragmentations/Fragmenting/isoleucine/pre/isoleucine.xyz (moved)
	* tests/Fragmentations/Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order1.at (moved)
	* tests/Fragmentations/Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order2.at (moved)
	* tests/Fragmentations/Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order3.at (moved)
	* tests/Fragmentations/Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order4.at (moved)
	* tests/Fragmentations/Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order5.at (moved)
	* tests/Fragmentations/Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order6.at (moved)
	* tests/Fragmentations/Fragmenting/neohexane/pre/neohexane.xyz (moved)
	* tests/Fragmentations/Fragmenting/neohexane/testsuite-fragmenting-neohexane-order1.at (moved)
	* tests/Fragmentations/Fragmenting/neohexane/testsuite-fragmenting-neohexane-order2.at (moved)
	* tests/Fragmentations/Fragmenting/neohexane/testsuite-fragmenting-neohexane-order3.at (moved)
	* tests/Fragmentations/Fragmenting/neohexane/testsuite-fragmenting-neohexane-order4.at (moved)
	* tests/Fragmentations/Fragmenting/neohexane/testsuite-fragmenting-neohexane-order5.at (moved)
	* tests/Fragmentations/Fragmenting/neohexane/testsuite-fragmenting-neohexane-order6.at (moved)
	* tests/Fragmentations/Fragmenting/proline/pre/proline.xyz (moved)
	* tests/Fragmentations/Fragmenting/proline/testsuite-fragmenting-proline-order1.at (moved)
	* tests/Fragmentations/Fragmenting/proline/testsuite-fragmenting-proline-order2.at (moved)
	* tests/Fragmentations/Fragmenting/proline/testsuite-fragmenting-proline-order3.at (moved)
	* tests/Fragmentations/Fragmenting/proline/testsuite-fragmenting-proline-order4.at (moved)
	* tests/Fragmentations/Fragmenting/proline/testsuite-fragmenting-proline-order5.at (moved)
	* tests/Fragmentations/Fragmenting/proline/testsuite-fragmenting-proline-order6.at (moved)
	* tests/Fragmentations/Fragmenting/putrescine/pre/putrescine.xyz (moved)
	* tests/Fragmentations/Fragmenting/putrescine/testsuite-fragmenting-putrescine-order1.at (moved)
	* tests/Fragmentations/Fragmenting/putrescine/testsuite-fragmenting-putrescine-order2.at (moved)
	* tests/Fragmentations/Fragmenting/putrescine/testsuite-fragmenting-putrescine-order3.at (moved)
	* tests/Fragmentations/Fragmenting/putrescine/testsuite-fragmenting-putrescine-order4.at (moved)
	* tests/Fragmentations/Fragmenting/putrescine/testsuite-fragmenting-putrescine-order5.at (moved)
	* tests/Fragmentations/Fragmenting/putrescine/testsuite-fragmenting-putrescine-order6.at (moved)
	* tests/Fragmentations/Fragmenting/tartaric_acid/pre/tartaric_acid.xyz (moved)
	* tests/Fragmentations/Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order1.at (moved)
	* tests/Fragmentations/Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order2.at (moved)
	* tests/Fragmentations/Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order3.at (moved)
	* tests/Fragmentations/Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order4.at (moved)
	* tests/Fragmentations/Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order5.at (moved)
	* tests/Fragmentations/Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order6.at (moved)
	* tests/Fragmentations/Joining/heptan/post/BondFragment00/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment00/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment01/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment01/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment02/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment02/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment03/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment03/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment04/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment04/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment05/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment05/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment06/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment06/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment07/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment07/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment08/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment08/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment09/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment09/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment10/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment10/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment11/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment11/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment12/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment12/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment13/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment13/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment14/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment14/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment15/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment15/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment16/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment16/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment17/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment17/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment18/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment18/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment19/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment19/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment20/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment20/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment21/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/BondFragment21/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/pcp.Order1.energy.all (added)
	* tests/Fragmentations/Joining/heptan/post/pcp.Order1.forces.all (added)
	* tests/Fragmentations/Joining/heptan/post/pcp.Order2.energy.all (added)
	* tests/Fragmentations/Joining/heptan/post/pcp.Order2.forces.all (added)
	* tests/Fragmentations/Joining/heptan/post/pcp.Order3.energy.all (added)
	* tests/Fragmentations/Joining/heptan/post/pcp.Order3.forces.all (added)
	* tests/Fragmentations/Joining/heptan/post/pcp.Order4.energy.all (added)
	* tests/Fragmentations/Joining/heptan/post/pcp.Order4.forces.all (added)
	* tests/Fragmentations/Joining/heptan/post/pcp.energyfragment.all (added)
	* tests/Fragmentations/Joining/heptan/post/pcp.forcefragment.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment00/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment00/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment00/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment01/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment01/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment01/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment02/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment02/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment02/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment03/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment03/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment03/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment04/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment04/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment04/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment05/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment05/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment05/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment06/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment06/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment06/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment07/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment07/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment07/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment08/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment08/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment08/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment09/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment09/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment09/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment10/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment10/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment10/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment11/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment11/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment11/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment12/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment12/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment12/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment13/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment13/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment13/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment14/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment14/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment14/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment15/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment15/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment15/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment16/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment16/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment16/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment17/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment17/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment17/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment18/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment18/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment18/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment19/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment19/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment19/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment20/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment20/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment20/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment21/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment21/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragment21/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragmentForces-Factors.dat (added)
	* tests/Fragmentations/Joining/heptan/pre/BondFragmentKeySets.dat (added)
	* tests/Fragmentations/Joining/heptan/pre/pcp.energy.all (added)
	* tests/Fragmentations/Joining/heptan/pre/pcp.forces.all (added)
	* tests/Fragmentations/Joining/heptan/pre/pcp.speed (added)
	* tests/Fragmentations/Joining/heptan/testsuite-joining-heptan.at (added)
	* tests/Fragmentations/Makefile.am (modified)
	* tests/Fragmentations/analyzer.in (added)
	* tests/Fragmentations/joiner.in (added)
	* tests/Fragmentations/testsuite.at (modified)
	* tests/Makefile.am (modified)

	Added (simple) regression tests for joiner and analyzer for heptan.
 ...


Fri, 04 Feb 2011 18:56:38 GMT Frederik Heber <heber@…> [038713]
	* configure.ac (modified)
	* tests/Fragmentations/1_2-dimethoxyethane.test (added)
	* tests/Fragmentations/1_2-dimethoxyethane/1_2-dimethoxyethane.xyz (added)
	* tests/Fragmentations/1_2-dimethylbenzene.test (added)
	* tests/Fragmentations/1_2-dimethylbenzene/1_2-dimethylbenzene.xyz (added)
	* tests/Fragmentations/2-methylcyclohexanone.test (added)
	* tests/Fragmentations/2-methylcyclohexanone/2-methylcyclohexanone.xyz (added)
	* tests/Fragmentations/Makefile.am (added)
	* tests/Fragmentations/N_N-dimethylacetamide.test (added)
	* tests/Fragmentations/N_N-dimethylacetamide/N_N-dimethylacetamide.xyz (added)
	* tests/Fragmentations/benzene.test (added)
	* tests/Fragmentations/benzene/benzene.xyz (added)
	* tests/Fragmentations/cholesterol.test (added)
	* tests/Fragmentations/cholesterol/cholesterol.xyz (added)
	* tests/Fragmentations/cycloheptane.test (added)
	* tests/Fragmentations/cycloheptane/cycloheptane.xyz (added)
	* tests/Fragmentations/defs.in (added)
	* tests/Fragmentations/dimethyl_bromomalonate.test (added)
	* tests/Fragmentations/dimethyl_bromomalonate/dimethyl_bromomalonate.xyz (added)
	* tests/Fragmentations/glucose.test (added)
	* tests/Fragmentations/glucose/glucose.xyz (added)
	* tests/Fragmentations/heptan.test (added)
	* tests/Fragmentations/heptan/heptan.xyz (added)
	* tests/Fragmentations/isoleucine.test (added)
	* tests/Fragmentations/isoleucine/isoleucine.xyz (added)
	* tests/Fragmentations/neohexane.test (added)
	* tests/Fragmentations/neohexane/neohexane.xyz (added)
	* tests/Fragmentations/proline.test (added)
	* tests/Fragmentations/proline/proline.xyz (added)
	* tests/Fragmentations/putrescine.test (added)
	* tests/Fragmentations/putrescine/putrescine.xyz (added)
	* tests/Fragmentations/tartaric_acid.test (added)
	* tests/Fragmentations/tartaric_acid/tartaric_acid.xyz (added)
	* tests/Makefile.am (modified)

	Added Fragmentations test in the spirit of the Tesselations test.

	- ...


Fri, 17 Dec 2010 14:17:44 GMT Frederik Heber <heber@…> [d0a719]
	* configure.ac (modified)
	* tests/CodeChecks/Makefile.am (added)
	* tests/CodeChecks/atlocal.in (added)
	* tests/CodeChecks/testsuite.at (added)
	* tests/Makefile.am (modified)

	Added new testsuite called CodeChecks.

	- this testsuite is meant to ...


Sun, 30 May 2010 09:18:14 GMT Frederik Heber <heber@…> [b2b47f]
	* configure.ac (modified)
	* tests/Makefile.am (modified)
	* tests/regression/Makefile.am (added)
	* tests/regression/atlocal.in (moved)
	* tests/regression/molecuilder.in (moved)
	* tests/regression/testsuite.at (moved)

	Shifted regression testsuite into folder regression.

	This is to ...


Tue, 10 Nov 2009 20:57:58 GMT Frederik Heber <heber@…> [36eb4e]
	* configure.ac (modified)
	* tests/Makefile.am (modified)
	* tests/Tesselations/1_2-dimethoxyethane.test (added)
	* tests/Tesselations/1_2-dimethoxyethane/1_2-dimethoxyethane.xyz (added)
	* tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (added)
	* tests/Tesselations/1_2-dimethylbenzene.test (added)
	* tests/Tesselations/1_2-dimethylbenzene/1_2-dimethylbenzene.xyz (added)
	* tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (added)
	* tests/Tesselations/1_2-dimethylbenzene/tecplot.phy (added)
	* tests/Tesselations/2-methylcyclohexanone.test (added)
	* tests/Tesselations/2-methylcyclohexanone/2-methylcyclohexanone.xyz (added)
	* tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (added)
	* tests/Tesselations/C16_0-Torus.test (added)
	* tests/Tesselations/C16_0-Torus/C16_0-Torus.xyz (added)
	* tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (added)
	* tests/Tesselations/Makefile.am (added)
	* tests/Tesselations/N_N-dimethylacetamide.test (added)
	* tests/Tesselations/N_N-dimethylacetamide/N_N-dimethylacetamide.xyz (added)
	* tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (added)
	* tests/Tesselations/cholesterol.test (added)
	* tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (added)
	* tests/Tesselations/cholesterol/cholesterol.xyz (added)
	* tests/Tesselations/cluster.test (added)
	* tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (added)
	* tests/Tesselations/cluster/cluster.dbond (added)
	* tests/Tesselations/cluster/cluster.xyz (added)
	* tests/Tesselations/cycloheptane.test (added)
	* tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (added)
	* tests/Tesselations/cycloheptane/cycloheptane.xyz (added)
	* tests/Tesselations/dimethyl_bromomalonate.test (added)
	* tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (added)
	* tests/Tesselations/dimethyl_bromomalonate/dimethyl_bromomalonate.xyz (added)
	* tests/Tesselations/glucose.test (added)
	* tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (added)
	* tests/Tesselations/glucose/glucose.xyz (added)
	* tests/Tesselations/heptan.test (added)
	* tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (added)
	* tests/Tesselations/heptan/heptan.xyz (added)
	* tests/Tesselations/isoleucine.test (added)
	* tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (added)
	* tests/Tesselations/isoleucine/isoleucine.xyz (added)
	* tests/Tesselations/neohexane.test (added)
	* tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (added)
	* tests/Tesselations/neohexane/neohexane.xyz (added)
	* tests/Tesselations/proline.test (added)
	* tests/Tesselations/proline/NonConvexEnvelope-proline.dat (added)
	* tests/Tesselations/proline/proline.xyz (added)
	* tests/Tesselations/putrescine.test (added)
	* tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (added)
	* tests/Tesselations/putrescine/putrescine.xyz (added)
	* tests/Tesselations/round_cluster.test (added)
	* tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (added)
	* tests/Tesselations/round_cluster/round_cluster.dbond (added)
	* tests/Tesselations/round_cluster/round_cluster.xyz (added)
	* tests/Tesselations/tartaric_acid.test (added)
	* tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (added)
	* tests/Tesselations/tartaric_acid/tartaric_acid.xyz (added)

	Added Tesselation testsets as TESTS to molecuilder.

	- defs.in with ...


Tue, 06 Oct 2009 17:56:15 GMT Frederik Heber <heber@…> [ebcade]
	* src/builder.cpp (modified)
	* tests/Makefile.am (modified)
	* tests/regression/Fragmentation/1/pre/test.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment0.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment0.conf.xyz (added)
	* tests/regression/Fragmentation/2/post/BondFragment1.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment1.conf.xyz (added)
	* tests/regression/Fragmentation/2/post/BondFragment2.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment2.conf.xyz (added)
	* tests/regression/Fragmentation/2/post/BondFragment3.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment3.conf.xyz (added)
	* tests/regression/Fragmentation/2/post/BondFragment4.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment4.conf.xyz (added)
	* tests/regression/Fragmentation/2/post/BondFragmentAdjacency.dat (added)
	* tests/regression/Fragmentation/2/post/BondFragmentForces-Factors.dat (added)
	* tests/regression/Fragmentation/2/post/BondFragmentKeySets.dat (added)
	* tests/regression/Fragmentation/2/post/BondFragmentOrderAtSite.dat (added)
	* tests/regression/Fragmentation/2/post/BondFragmentTE-Factors.dat (added)
	* tests/regression/Fragmentation/2/post/test.conf (added)
	* tests/regression/Fragmentation/2/pre/test.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf.xyz (added)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf.xyz (added)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf.xyz (added)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf.xyz (added)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf.xyz (added)
	* tests/regression/Fragmentation/3/pre/BondFragmentAdjacency.dat (added)
	* tests/regression/Fragmentation/3/pre/BondFragmentForces-Factors.dat (added)
	* tests/regression/Fragmentation/3/pre/BondFragmentKeySets.dat (added)
	* tests/regression/Fragmentation/3/pre/BondFragmentOrderAtSite.dat (added)
	* tests/regression/Fragmentation/3/pre/BondFragmentTE-Factors.dat (added)
	* tests/regression/Fragmentation/3/pre/test.conf (added)
	* tests/regression/Graph/1/post/test.conf (added)
	* tests/regression/Graph/1/pre/test.conf (added)
	* tests/regression/Simple_configuration/1/post/test.xyz (added)
	* tests/regression/Simple_configuration/2/post/test.conf (added)
	* tests/regression/Simple_configuration/2/post/test.conf.xyz (added)
	* tests/regression/Simple_configuration/2/pre/test.xyz (added)
	* tests/regression/Simple_configuration/3/post/test.conf (added)
	* tests/regression/Simple_configuration/3/post/test.conf.xyz (added)
	* tests/regression/Simple_configuration/4/post/test.conf (added)
	* tests/regression/Simple_configuration/4/post/test.conf.xyz (added)
	* tests/regression/Simple_configuration/4/pre/test.conf (added)
	* tests/regression/Simple_configuration/5/post/test.conf (added)
	* tests/regression/Simple_configuration/5/post/test.conf.xyz (added)
	* tests/regression/Simple_configuration/5/pre/test.conf (added)
	* tests/regression/Simple_configuration/6/pre/empty.conf (added)
	* tests/regression/Simple_configuration/7/pre/test.conf (added)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (added)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (added)
	* tests/regression/Tesselation/1/post/test.conf (added)
	* tests/regression/Tesselation/1/pre/test.conf (added)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (added)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (added)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (added)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (added)
	* tests/regression/Tesselation/2/post/test.conf (added)
	* tests/regression/Tesselation/2/pre/test.conf (added)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (added)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (added)
	* tests/regression/Tesselation/3/post/tecplot.phy (added)
	* tests/regression/Tesselation/3/post/test.conf (added)
	* tests/regression/Tesselation/3/pre/test.conf (added)
	* tests/regression/Tesselation/4/post/NonConvexEnvelope.dat (added)
	* tests/regression/Tesselation/4/post/NonConvexEnvelope.r3d (added)
	* tests/regression/Tesselation/4/post/test.conf (added)
	* tests/regression/Tesselation/4/pre/test.conf (added)
	* tests/testsuite.at (modified)

	Extended the testsuite to encompass the vital areas of molecuilder.
 ...


Mon, 09 Feb 2009 17:24:10 GMT Frederik Heber <heber@…> [6ac7ee]
	* ChangeLog (modified)
	* Makefile.am (modified)
	* configure.ac (modified)
	* doc/Doxyfile (modified)
	* doc/Makefile.am (modified)
	* m4/ac_doxygen.m4 (modified)
	* m4/acx_compilerflags.m4 (modified)
	* src/.#border.cpp (deleted)
	* src/.#molecules.hpp (deleted)
	* src/Hbondangle.db (modified)
	* src/Hbonddistance.db (modified)
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/defs.hpp (modified)
	* src/element.cpp (modified)
	* src/elements.db (modified)
	* src/ellipsoid.cpp (added)
	* src/ellipsoid.hpp (added)
	* src/graph.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/orbitals.db (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/valence.db (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* tests/Makefile.am (modified)
	* tests/atlocal.in (modified)
	* tests/molecuilder.in (modified)
	* tests/testsuite.at (modified)

	Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
 ...


Sun, 27 Apr 2008 13:05:46 GMT Frederik Heber <heber@…> [f3cba6]
	* tests/Makefile.am (added)
	* tests/atlocal.in (added)
	* tests/molecuilder.in (added)
	* tests/testsuite.at (added)

	forgot to commit the actual autotest files listed during last commit, ...