--- trunk/OOPSE-2.0/ChangeLog 2004/11/04 20:51:23 1711 +++ trunk/OOPSE-2.0/ChangeLog 2004/11/04 20:55:01 1712 @@ -1,13 +1,117 @@ -2004-11-02 11:59 tim +2004-11-04 14:48 tim - * src/brains/SimModel.cpp: file SimModel.cpp was initially added on + * src/brains/: SimInfo.cpp, SimInfo.hpp, SimModel.cpp, + SimModel.hpp, Snapshot.hpp, Stats.cpp, Stats.hpp: adding Stats + class + +2004-11-04 14:48 tim + + * src/brains/Stats.cpp: file Stats.cpp was initially added on + branch new_design. + +2004-11-04 14:48 tim + + * src/brains/Stats.hpp: file Stats.hpp was initially added on + branch new_design. + +2004-11-04 11:22 gezelter + + * src/primitives/: DirectionalAtom.cpp, DirectionalAtom.hpp, + RigidBody.hpp, StuntDouble.cpp, StuntDouble.hpp: isLinear and + linearAxis are virtual in StuntDouble, but are implemented by + DirectionalAtom and RigidBody In StuntDouble, they should return + false and "-1" but there should be logic to figure them out in the + other two classes + +2004-11-04 11:20 gezelter + + * src/: brains/ForceFields.cpp, integrators/Integrator.cpp: Don't + remember what I did + +2004-11-04 11:20 gezelter + + * src/UseTheForce/DarkSide/shapes.F90: Breaky Breaky + +2004-11-04 11:20 gezelter + + * src/UseTheForce/: DUFF.cpp, WATER.cpp, doForces.F90: fixed useXXX + in the entry_plug so that it only is set if the atoms really are in + the simulation + +2004-11-04 11:20 gezelter + + * samples/water/ssd/ssd.md: testing force fields + +2004-11-04 11:19 gezelter + + * samples/shape/linear.in: testing shapes + +2004-11-03 14:56 tim + + * src/brains/SimCreator.cpp: file SimCreator.cpp was initially + added on branch new_design. + +2004-11-03 14:56 tim + + * src/brains/: SimCreator.cpp, SimCreator.hpp: Adding SimCreator + class(similar as SimSetup) + +2004-11-03 14:56 tim + + * src/brains/SimCreator.hpp: file SimCreator.hpp was initially + added on branch new_design. + +2004-11-03 13:00 tim + + * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, + UseTheForce/ForceFields.cpp, UseTheForce/LJFF.cpp, + UseTheForce/Shapes_FF.cpp, UseTheForce/WATER.cpp, + brains/DataStorage.hpp, primitives/Atom.hpp, + primitives/DirectionalAtom.hpp, restraints/Restraints.hpp, + visitors/BaseVisitor.hpp, visitors/ZconsVisitor.cpp: ForceFiled get + compiled. Still a long way to go ...... + +2004-11-03 11:08 tim + + * ChangeLog, src/brains/SimInfo.cpp, src/brains/SimInfo.hpp, + src/constraints/ZConstraint.cpp, src/integrators/NPT.cpp, + src/integrators/NPTf.cpp, src/integrators/NPTi.cpp, + src/integrators/NPTxyz.cpp, src/integrators/NVT.cpp, + src/io/ZConsReader.cpp, src/primitives/Bend.cpp, + src/primitives/Bond.cpp, src/primitives/GhostBend.cpp, + src/primitives/Molecule.cpp, src/primitives/Molecule.hpp, + src/primitives/SRI.hpp, src/primitives/StuntDouble.cpp, + src/primitives/StuntDouble.hpp, src/primitives/Torsion.cpp, + src/utils/GenericData.hpp, src/visitors/AtomVisitor.cpp, + src/visitors/OtherVisitor.cpp, src/visitors/RigidBodyVisitor.cpp, + src/visitors/ZconsVisitor.cpp, test/utils/Makefile: mess up ...... + +2004-11-02 17:41 tim + + * src/utils/LocalndexManager.hpp: file LocalndexManager.hpp was + initially added on branch new_design. + +2004-11-02 17:41 tim + + * src/brains/Migrator.hpp: file Migrator.hpp was initially added on branch new_design. + +2004-11-02 17:41 tim + + * src/: brains/Migrator.hpp, brains/SimModel.cpp, + utils/LocalndexManager.hpp: Adding LocalIndexManager and Migrator. + Need unit test 2004-11-02 11:59 tim * src/brains/: SimModel.cpp, SimModel.hpp, SimSnapshotManager.cpp, SimSnapshotManager.hpp: SimModel in progress +2004-11-02 11:59 tim + + * src/brains/SimModel.cpp: file SimModel.cpp was initially added on + branch new_design. + 2004-11-02 10:28 chrisfen * src/: UseTheForce/DarkSide/shapes.F90, @@ -16,13 +120,13 @@ 2004-11-02 10:27 tim - * src/utils/MemoryUtils.hpp: adding MemoryUtils which provide some - functions for dealing with memory issue + * src/utils/MemoryUtils.hpp: file MemoryUtils.hpp was initially + added on branch new_design. 2004-11-02 10:27 tim - * src/utils/MemoryUtils.hpp: file MemoryUtils.hpp was initially - added on branch new_design. + * src/utils/MemoryUtils.hpp: adding MemoryUtils which provide some + functions for dealing with memory issue 2004-11-02 10:23 tim