source: src@ 365a44

Name Size Rev Age Author Last Change
../
Actions ced7f0   11 years FrederikHeber VersionAction also prints to log, not only to status.
Analysis 833b15   11 years FrederikHeber FIX: Changes to function signatures in molecule_geometry. - no more …
Atom 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
Bond 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
Descriptors 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
documentation 5524ae9   11 years FrederikHeber DOCU: Update on test policy with respect to now working valgrind tests.
Dynamics 7f833c   11 years FrederikHeber Giving the maximum components over all force vectors in ForceAnnealing.
Element 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
Filling df9f20   11 years FrederikHeber Refactored FillSurfaceAction to also use FillerPreparators. - added …
Fragmentation 2a6d8c   11 years FrederikHeber DOCUFIX: Doyxygen formula was broken in SaturationDistanceMaximizer.
FunctionApproximation 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
Graph 42ffb5   11 years FrederikHeber FIX: BondGraph::cleanAdjacencyList() killed bonds of time steps …
Helpers adb51ab   12 years FrederikHeber FragmentationAction stores cycles to file and in …
Jobs 365a44   11 years FrederikHeber Added loop to SystemCommandJob to attempt execution three times.
LinkedCell 052c10   11 years FrederikHeber MEMFIX: Tesselation::operator() did not free linkedlist.
Parameters f8bccc   11 years FrederikHeber FIX: QtQueryList now works with pointers, FileQtQuery gives name of …
Parser 3d70e3   11 years FrederikHeber MEMFIX: Mismatched delete in PdbParser::Save().
Potentials 6b3e5e   11 years FrederikHeber MEMFIX: PartialNucleiChargeFitter lost memory. - operator() and …
Python 74459a   11 years FrederikHeber Added --disable-action-thread to allow disabling of extra run thread. …
RandomNumbers 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
Shapes 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
Tesselation 2b7375   11 years FrederikHeber Removed PrepareClustersInWater().
Thermostats f73351   12 years FrederikHeber FIX: Some Thermostats would cause NaN on zero temperature. - …
UIElements 06b5df   11 years FrederikHeber FIX: CommandLineParser causes idling thread when parsing goes wrong. …
unittests 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
AtomIdSet.cpp 6.0 KB ​ c1353f5   12 years FrederikHeber Added AtomIdSet cstor that converts from a KeySet. - as this requires …
AtomIdSet.hpp 1.9 KB ​ c1353f5   12 years FrederikHeber Added AtomIdSet cstor that converts from a KeySet. - as this requires …
Box.cpp 12.1 KB ​ 25aa5a   11 years FrederikHeber FIX: Box::setM() did not use const ref as argument.
Box.hpp 4.6 KB ​ 25aa5a   11 years FrederikHeber FIX: Box::setM() did not use const ref as argument.
Box_BoundaryConditions.cpp 7.3 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
Box_BoundaryConditions.hpp 2.4 KB ​ de2031   13 years FrederikHeber BoundaryConditionValidator implemented
builder.cpp 1.6 KB ​ 09f615   11 years FrederikHeber MEMFIX: World's homologies not deleted. - main() now uses int status …
builder_init.cpp 4.8 KB ​ 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
builder_init.hpp 328 bytes ​ 415ddd   11 years FrederikHeber ActionQueue now contains a run thread. - otherwise the progress bar …
cleanUp.cpp 7.5 KB ​ 96c7d2   11 years FrederikHeber MEMFIX: PotentialRegistry's dstor forgot cleanup(). - also we purge …
cleanUp.hpp 402 bytes ​ 74459a   11 years FrederikHeber Added --disable-action-thread to allow disabling of extra run thread. …
config.cpp 1.8 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
config.hpp 483 bytes ​ 41a467   13 years FrederikHeber LARGE: config class is now just a tiny container. - this was …
controller.cpp 1.2 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
controller_AddOn_MPQCCommandJob.cpp 1.2 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
controller_MPQCCommandJob.cpp 13.9 KB ​ 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
controller_MPQCCommandJob.hpp 1.1 KB ​ 856d05   13 years FrederikHeber MEMFIX: Added WorldTime and ObserverLog ::purgeInstance() calls. - …
ControllerOptions_MPQCCommandJob.cpp 2.4 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ControllerOptions_MPQCCommandJob.hpp 910 bytes ​ 856d05   13 years FrederikHeber MEMFIX: Added WorldTime and ObserverLog ::purgeInstance() calls. - …
Formula.cpp 15.1 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
Formula.hpp 4.0 KB ​ 47ed3d   13 years FrederikHeber Removed some old output functions in element, Formula, and molecule. …
IdPool.hpp 2.8 KB ​ b97a60   13 years FrederikHeber Modified IdPool implementation to give either unique or continuous …
IdPool_impl.hpp 3.7 KB ​ 5a4cbc   13 years FrederikHeber VERBOSITY: Increased verbosity threshold of some outputs connected to …
IdPool_policy.hpp 1.0 KB ​ b97a60   13 years FrederikHeber Modified IdPool implementation to give either unique or continuous …
Makefile.am 15.6 KB ​ 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
molecule.cpp 38.2 KB ​ 833b15   11 years FrederikHeber FIX: Changes to function signatures in molecule_geometry. - no more …
molecule.hpp 9.4 KB ​ 833b15   11 years FrederikHeber FIX: Changes to function signatures in molecule_geometry. - no more …
molecule_geometry.cpp 17.1 KB ​ 833b15   11 years FrederikHeber FIX: Changes to function signatures in molecule_geometry. - no more …
molecule_graph.cpp 13.3 KB ​ 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
MoleculeLeafClass.cpp 3.8 KB ​ 339910   12 years FrederikHeber Fragmentation now operates on a single molecule. - FragmentMolecule() …
MoleculeLeafClass.hpp 1.1 KB ​ 339910   12 years FrederikHeber Fragmentation now operates on a single molecule. - FragmentMolecule() …
moleculelist.cpp 21.9 KB ​ 833b15   11 years FrederikHeber FIX: Changes to function signatures in molecule_geometry. - no more …
MoleculeListClass.hpp 1.4 KB ​ dcbb5d   12 years FrederikHeber REFACTOR: Replaced SortIndex by a distinct class to allow replacement.
poolworker.cpp 1.4 KB ​ 1b01e9   12 years FrederikHeber FIX: Server missed forced binding to MPQCJob. - present was only to …
Server.cpp 1.4 KB ​ 1b01e9   12 years FrederikHeber FIX: Server missed forced binding to MPQCJob. - present was only to …
types.hpp 482 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
version.h 103 bytes ​ 5f8660a   15 years FrederikHeber Changed PACKAGENAME and version. - rename ESPACKVersion in …
World.cpp 25.8 KB ​ 388ddd   11 years FrederikHeber World::setTime() now only copies bond graph, does not re-create it. - …
World.hpp 16.6 KB ​ 2a8731   12 years FrederikHeber World now has channel TimeChanged. - FIX: SetWorldTimeAction uses now …
World_calculations.hpp 743 bytes ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
WorldTime.cpp 2.1 KB ​ 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
WorldTime.hpp 2.0 KB ​ e3f9b8   11 years FrederikHeber FIX: WorldTime's dstor is now virtual.
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