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