[ViewVC] Diff of: group/trunk/OOPSE-2.0/ChangeLog

Comparing trunk/OOPSE-2.0/ChangeLog (file contents):
Revision 1594 by tim, Mon Oct 18 23:13:23 2004 UTC vs.
Revision 1712 by tim, Thu Nov 4 20:55:01 2004 UTC

-+
+-11-04 14:48  tim
-+
-+
+        * src/brains/: SimInfo.cpp, SimInfo.hpp, SimModel.cpp,
-+
+        SimModel.hpp, Snapshot.hpp, Stats.cpp, Stats.hpp: adding Stats
-+
+        class
-+
-+
+-11-04 14:48  tim
-+
-+
+        * src/brains/Stats.cpp: file Stats.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-04 14:48  tim
-+
-+
+        * src/brains/Stats.hpp: file Stats.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-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
-+
-+
+-11-04 11:20  gezelter
-+
-+
+        * src/: brains/ForceFields.cpp, integrators/Integrator.cpp: Don't
-+
+        remember what I did
-+
-+
+-11-04 11:20  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/shapes.F90: Breaky Breaky
-+
-+
+-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
-+
-+
+-11-04 11:20  gezelter
-+
-+
+        * samples/water/ssd/ssd.md: testing force fields
-+
-+
+-11-04 11:19  gezelter
-+
-+
+        * samples/shape/linear.in: testing shapes
-+
-+
+-11-03 14:56  tim
-+
-+
+        * src/brains/SimCreator.cpp: file SimCreator.cpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-03 14:56  tim
-+
-+
+        * src/brains/: SimCreator.cpp, SimCreator.hpp: Adding SimCreator
-+
+        class(similar as SimSetup)
-+
-+
+-11-03 14:56  tim
-+
-+
+        * src/brains/SimCreator.hpp: file SimCreator.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-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 ......
-+
-+
+-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 ......
-+
-+
+-11-02 17:41  tim
-+
-+
+        * src/utils/LocalndexManager.hpp: file LocalndexManager.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-02 17:41  tim
-+
-+
+        * src/brains/Migrator.hpp: file Migrator.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-02 17:41  tim
-+
-+
+        * src/: brains/Migrator.hpp, brains/SimModel.cpp,
-+
+        utils/LocalndexManager.hpp: Adding LocalIndexManager and Migrator.
-+
+        Need unit test
-+
-+
+-11-02 11:59  tim
-+
-+
+        * src/brains/: SimModel.cpp, SimModel.hpp, SimSnapshotManager.cpp,
-+
+        SimSnapshotManager.hpp: SimModel in progress
-+
-+
+-11-02 11:59  tim
-+
-+
+        * src/brains/SimModel.cpp: file SimModel.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-02 10:28  chrisfen
-+
-+
+        * src/: UseTheForce/DarkSide/shapes.F90,
-+
+        primitives/StuntDouble.cpp, primitives/StuntDouble.hpp: Shapes
-+
+        looks like it's working
-+
-+
+-11-02 10:27  tim
-+
-+
+        * src/utils/MemoryUtils.hpp: file MemoryUtils.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-02 10:27  tim
-+
-+
+        * src/utils/MemoryUtils.hpp: adding MemoryUtils which provide some
-+
+        functions for dealing with memory issue
-+
-+
+-11-02 10:23  tim
-+
-+
+        * src/: brains/SimModel.hpp, brains/Snapshot.hpp,
-+
+        brains/SnapshotManager.hpp, primitives/Molecule.hpp: adding
-+
+        SimModel(something similar as SimInfo)
-+
-+
+-11-01 17:52  tim
-+
-+
+        * src/: applications/simpleBuilder/MoLocator.hpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp,
-+
+        brains/DataStorage.hpp, brains/ForceFields.cpp,
-+
+        brains/Snapshot.hpp, brains/SnapshotManager.hpp, brains/Thermo.cpp,
-+
+        constraints/ZConstraint.cpp, integrators/Integrator.cpp,
-+
+        integrators/NPT.cpp, integrators/NVT.cpp, io/DumpWriter.cpp,
-+
+        math/SquareMatrix3.hpp, math/Vector3.hpp,
-+
+        minimizers/OOPSEMinimizer.cpp, primitives/Bend.hpp,
-+
+        primitives/Bond.hpp, primitives/CutoffGroup.hpp,
-+
+        primitives/Molecule.cpp, primitives/Molecule.hpp,
-+
+        primitives/RigidBody.hpp, primitives/Torsion.hpp,
-+
+        restraints/Restraints.cpp, types/TorsionType.hpp,
-+
+        utils/PropertyMap.hpp, utils/StringTokenizer.hpp,
-+
+        visitors/AtomVisitor.cpp, visitors/BaseVisitor.hpp,
-+
+        visitors/RigidBodyVisitor.cpp: Molecule, Atom, DirectionalAtom,
-+
+        RigidBody and StuntDouble classes get compiled
-+
-+
+-11-01 16:40  tim
-+
-+
+        * src/primitives/Torsion.hpp: file Torsion.hpp was initially added
-+
+        on branch new_design.
-+
-+
+-11-01 16:40  tim
-+
-+
+        * src/primitives/Bend.hpp: file Bend.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-01 16:40  tim
-+
-+
+        * src/primitives/Bond.hpp: file Bond.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-01 16:40  tim
-+
-+
+        * src/primitives/: Bend.hpp, Bond.hpp, Torsion.hpp: add initial
-+
+        version of Bond, Bend and Torsion.
-+
-+
+-11-01 16:37  tim
-+
-+
+        * src/types/BendType.hpp: file BendType.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-01 16:37  tim
-+
-+
+        * src/types/: BendType.hpp, BondType.hpp, TorsionType.hpp: adding
-+
+        BondType, BendType, TorsionType
-+
-+
+-11-01 16:37  tim
-+
-+
+        * src/types/TorsionType.hpp: file TorsionType.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-01 16:37  tim
-+
-+
+        * src/types/BondType.hpp: file BondType.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-01 15:15  tim
-+
-+
+        * src/primitives/: Atom.cpp, Atom.hpp, Bend.cpp, Bond.cpp,
-+
+        CutoffGroup.hpp, DirectionalAtom.cpp, DirectionalAtom.hpp,
-+
+        GhostBend.cpp, Makefile, Molecule.cpp, Molecule.hpp, RigidBody.cpp,
-+
+        RigidBody.hpp, StuntDouble.cpp, StuntDouble.hpp, Torsion.cpp:
-+
+        break, break and break.....
-+
-+
+-11-01 14:57  tim
-+
-+
+        * test/brains/: Atom.cpp, DirectioanlAtom.cpp, DirectionalAtom.cpp,
-+
+        DirectionalAtom.hpp, RigidBody.cpp, RigidBody.hpp, StuntDouble.cpp,
-+
+        StuntDouble.hpp: these core classes get compiled
-+
-+
+-10-29 17:37  tim
-+
-+
+        * test/brains/: Molecule.cpp, Molecule.hpp: more work on Molecule
-+
+        class
-+
-+
+-10-29 17:28  chrisfen
-+
-+
+        * src/: UseTheForce/DarkSide/atype.F90,
-+
+        UseTheForce/DarkSide/shapes.F90, math/RealSphericalHarmonic.cpp,
-+
+        types/ShapeAtomType.cpp: still debugging
-+
-+
+-10-29 17:28  chrisfen
-+
-+
+        * src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp, doForces.F90:
-+
+        shapes rcut calculator added
-+
-+
+-10-29 17:27  chrisfen
-+
-+
+        * samples/shape/linear.md: shorter run
-+
-+
+-10-29 15:54  tim
-+
-+
+        * test/brains/: Molecule.cpp, Molecule.hpp: rewrite Molecule class.
-+
-+
+-10-29 11:22  tim
-+
-+
+        * test/utils/: GenerateCombination.hpp, ReplaceWildCard.hpp,
-+
+        ReplaceWildCardTestCase.cpp, ReplaceWildCardTestCase.hpp: Remove
-+
+        some deprecated files
-+
-+
+-10-29 11:20  tim
-+
-+
+        * test/brains/: Atom.cpp, Atom.hpp, DirectioanlAtom.cpp,
-+
+        DirectionalAtom.hpp, RigidBody.cpp, RigidBody.hpp, StuntDouble.hpp:
-+
+        More painful reconstruction is coming !!!
-+
-+
+-10-28 17:34  tim
-+
-+
+        * src/brains/DataStorage.hpp, src/utils/next_combination.hpp,
-+
+        test/brains/DirectioanlAtom.cpp, test/brains/DirectionalAtom.hpp,
-+
+        test/brains/RigidBody.cpp, test/brains/RigidBody.hpp,
-+
+        test/brains/StuntDouble.hpp: More work on StuntDouble, Atom,
-+
+        DirectionalAtom and RigidBody
-+
-+
+-10-28 17:26  tim
-+
-+
+        * ChangeLog, src/applications/simpleBuilder/BaseLattice.hpp,
-+
+        src/applications/simpleBuilder/MoLocator.cpp,
-+
+        src/applications/simpleBuilder/Vector3d.hpp,
-+
+        src/utils/GenericFactory.hpp, src/utils/next_combination.hpp:
-+
+        remove old Vector3d.hpp from application/simpleBuilder
-+
-+
+-10-28 16:42  tim
-+
-+
+        * src/utils/next_combination.hpp: Minor change in next_combination
-+
-+
+-10-28 16:28  tim
-+
-+
+        * src/utils/next_combination.hpp,
-+
+        test/utils/NextCombinationTestCase.cpp,
-+
+        test/utils/ReplaceWildCardTestCase.cpp: Done with combination
-+
-+
+-10-28 16:11  tim
-+
-+
+        * src/utils/next_combination.hpp: change documentation of
-+
+        next_combination.hpp
-+
-+
+-10-28 15:41  tim
-+
-+
+        * ChangeLog, src/utils/next_combination.hpp,
-+
+        test/utils/NextCombinationTestCase.cpp,
-+
+        test/utils/NextCombinationTestCase.hpp: ReplaceWildCard is working
-+
-+
+-10-28 15:01  tim
-+
-+
+        * src/utils/next_combination.hpp: adding replace wildcard function
-+
-+
+-10-28 14:33  tim
-+
-+
+        * src/utils/next_combination.hpp: Minor change
-+
-+
+-10-28 14:06  tim
-+
-+
+        * ChangeLog, src/applications/simpleBuilder/MoLocator.hpp,
-+
+        src/applications/simpleBuilder/simpleBuilder.cpp,
-+
+        src/utils/next_combination.hpp, test/utils/Makefile,
-+
+        test/utils/NextCombinationTestCase.cpp,
-+
+        test/utils/ReplaceWildCardTestCase.cpp,
-+
+        test/utils/next_combination.hpp: STL next_permutation like
-+
+        next_combination is working
-+
-+
+-10-28 12:22  chrisfen
-+
-+
+        * src/UseTheForce/WATER.cpp: fix of setDipoles
-+
-+
+-10-28 12:20  gezelter
-+
-+
+        * src/UseTheForce/Shapes_FF.cpp: forgot to advance lines in the
-+
+        shapeFile
-+
-+
+-10-28 12:20  gezelter
-+
-+
+        * samples/shape/linear.md: forgot the orientation line
-+
-+
+-10-28 11:56  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/ForceFields.hpp, UseTheForce/LJFF.cpp,
-+
+        UseTheForce/WATER.cpp, types/AtomType.cpp: fixed duplicate
-+
+        declaration foo
-+
-+
+-10-28 11:55  gezelter
-+
-+
+        * samples/lipid/5x5.md: uncommented .in line
-+
-+
+-10-28 10:42  tim
-+
-+
+        * test/utils/: Makefile, NextCombinationTestCase.cpp,
-+
+        NextCombinationTestCase.hpp, next_combination.hpp: next_combination
-+
+        in progress
-+
-+
+-10-28 10:15  tim
-+
-+
+        * test/utils/: NextCombinationTestCase.cpp,
-+
+        NextCombinationTestCase.hpp: adding next_combination test case
-+
-+
+-10-28 10:02  tim
-+
-+
+        * test/utils/next_combination.hpp: STL Compatible combination
-+
+        sequence generator
-+
-+
+-10-28 01:23  tim
-+
-+
+        * test/utils/: GenerateCombination.hpp,
-+
+        ReplaceWildCardTestCase.cpp: bug fixed in GenerateCombination.hpp
-+
-+
+-10-28 01:16  tim
-+
-+
+        * test/utils/GenerateCombination.hpp: a STL next_permutaion like
-+
+        next_combination function.
-+
-+
+-10-27 22:27  tim
-+
-+
+        * test/utils/ReplaceWildCard.hpp: no message
-+
-+
+-10-27 22:14  tim
-+
-+
+        * test/utils/: ReplaceWildCard.hpp, ReplaceWildCardTestCase.cpp:
-+
+        ReplaceWildCard(recursive version) is working, need refactoring. An
-+
+        iterative version is on the way
-+
-+
+-10-27 21:28  tim
-+
-+
+        * test/utils/: Makefile, ReplaceWildCard.hpp,
-+
+        ReplaceWildCardTestCase.cpp: ReplaceWildCard in progress
-+
-+
+-10-27 21:08  tim
-+
-+
+        * test/utils/: ReplaceWildCardTestCase.cpp,
-+
+        ReplaceWildCardTestCase.hpp: Adding Test Case for ReplaceWildCard
-+
-+
+-10-27 18:17  tim
-+
-+
+        * test/utils/ReplaceWildCard.hpp: adding ReplaceWildCard.hpp, need
-+
+        test
-+
-+
+-10-27 01:25  tim
-+
-+
+        * src/utils/TupleMatcher.hpp: Adding Generic TupleMatcher, wild
-+
+        char matching is on the way
-+
-+
+-10-27 01:07  tim
-+
-+
+        * src/utils/Tuple.hpp: Adding Generic Tuple3 and Tuple4
-+
-+
+-10-26 22:00  gezelter
-+
-+
+        * src/UseTheForce/: EAM_FF.cpp, ForceFields.hpp: bug fix
-+
-+
+-10-26 21:20  gezelter
-+
-+
+        * src/UseTheForce/ForceFields.hpp: subclass foo
-+
-+
+-10-26 21:16  gezelter
-+
-+
+        * src/UseTheForce/: EAM_FF.cpp, LJFF.cpp, WATER.cpp: more char* ->
-+
+        string conversion
-+
-+
+-10-26 19:01  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/ForceFields.hpp, brains/SimSetup.cpp,
-+
+        brains/SimSetup.hpp: char* -> string
-+
-+
+-10-26 17:25  gezelter
-+
-+
+        * src/types/: AtomType.cpp, AtomType.hpp, DirectionalAtomType.hpp,
-+
+        Makefile, ShapeAtomType.cpp, ShapeAtomType.hpp, ShapeType.cpp,
-+
+        ShapeType.hpp: Making ShapeType into a ShapeAtomType, fixing some
-+
+        isXXX
-+
-+
+-10-26 17:25  gezelter
-+
-+
+        * src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp:
-+
+        define name collision
-+
-+
+-10-26 17:24  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/ForceFields.hpp, UseTheForce/LJFF.cpp,
-+
+        UseTheForce/Makefile, UseTheForce/Shapes_FF.cpp,
-+
+        UseTheForce/WATER.cpp, UseTheForce/doForces.F90,
-+
+        UseTheForce/DarkSide/shapes_interface.h, brains/SimSetup.cpp:
-+
+        forcefield refactoring for shapes
-+
-+
+-10-26 17:24  gezelter
-+
-+
+        * samples/shape/: 5CB.shape, 8CB.shape, C60.shape, C70.shape,
-+
+        Shapes.frc, cholesterol.shape, ethylBenzene.shape, linear.in,
-+
+        linear.md, linear.shape, toluene.shape: adding sample shape
-+
+        directory
-+
-+
+-10-26 17:19  tim
-+
-+
+        * ChangeLog, src/brains/DataStorage.cpp,
-+
+        src/brains/DataStorage.hpp, src/brains/Snapshot.hpp,
-+
+        test/brains/DataStorageTestCase.cpp,
-+
+        test/brains/DataStorageTestCase.hpp, test/brains/Makefile:
-+
+        DataStorage passes unit test
-+
-+
+-10-26 13:03  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/: shapes.F90, shapes_interface.h:
-+
+        Changes to help advance shapes
-+
-+
+-10-26 13:02  chrisfen
-+
-+
+        * src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp: Changes to
-+
+        Shapes force field reader
-+
-+
+-10-26 12:28  tim
-+
-+
+        * src/brains/Snapshot.hpp, test/brains/RigidBody.hpp: Snaphot and
-+
+        SnapshotTestCase in progress
-+
-+
+-10-25 17:46  tim
-+
-+
+        * ChangeLog, src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
-+
+        src/math/SquareMatrix3.hpp, src/math/Vector.hpp,
-+
+        src/math/Vector3.hpp, test/brains/StuntDouble.hpp,
-+
+        test/math/RectMatrixTestCase.cpp, test/math/Vector3TestCase.cpp,
-+
+        test/math/VectorTestCase.cpp: add getArray function to  RectMatrix
-+
+        and Vector classes
-+
-+
+-10-25 12:03  tim
-+
-+
+        * ChangeLog, src/utils/GenericFactory.hpp,
-+
+        test/utils/GenericFactoryTestCase.cpp,
-+
+        test/utils/GenericFactoryTestCase.hpp, test/utils/Makefile: adding
-+
+        GenericFactory Test Case. GenericFactory now can bed used to creat
-+
+        ForcefieldFactory and IntegratorFactory etc.
-+
-+
+-10-24 23:08  tim
-+
-+
+        * src/: brains/SimModel.hpp, brains/SimSnapshotManager.cpp,
-+
+        brains/SimSnapshotManager.hpp, brains/Snapshot.hpp,
-+
+        brains/SnapshotManager.hpp, utils/GenericFactory.hpp: more classes
-+
+        get reconstructed
-+
-+
+-10-24 02:55  tim
-+
-+
+        * src/utils/GenericFactory.hpp: GenericFactory pass unit test
-+
-+
+-10-23 18:09  tim
-+
-+
+        * test/brains/: Atom.hpp, DirectionalAtom.hpp, RigidBody.hpp,
-+
+        StuntDouble.cpp, StuntDouble.hpp, Atom.cpp, DirectioanlAtom.cpp,
-+
+        RigidBody.cpp: Refactoring in progress
-+
-+
+-10-22 18:09  tim
-+
-+
+        * ChangeLog, src/brains/Snapshot.hpp,
-+
+        src/brains/SnapshotManager.hpp, src/math/SquareMatrix.hpp,
-+
+        test/brains/SnapshotTestCase.cpp, test/brains/SnapshotTestCase.hpp,
-+
+        test/brains/StuntDouble.hpp: more work in Snapshot
-+
-+
+-10-22 17:59  chrisfen
-+
-+
+        * src/: UseTheForce/LJFF.cpp,
-+
+        UseTheForce/DarkSide/atype_interface.h, types/AtomType.cpp: Dear
-+
+        god!  It runs and conserves energy!
-+
-+
+-10-22 17:54  chrisfen
-+
-+
+        * src/types/: AtomType.cpp, AtomType.hpp: strDUP not strCOPY
-+
-+
+-10-22 17:53  chrisfen
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp,
-+
+        UseTheForce/WATER.cpp, UseTheForce/doForces.F90,
-+
+        brains/SimInfo.cpp, brains/SimInfo.hpp: fixey fixey the breakey
-+
+        breakey
-+
-+
+-10-22 17:53  chrisfen
-+
-+
+        * make/Makefile.in: compiler flags
-+
-+
+-10-22 16:20  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/LJFF.cpp, UseTheForce/doForces.F90,
-+
+        brains/fSimulation.h, types/AtomType.hpp,
-+
+        types/DirectionalAtomType.hpp: fixey fixey
-+
-+
+-10-22 15:22  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: LJ.F90, atype.F90, atype_interface.h,
-+
+        charge.F90, charge_interface.h, dipole.F90, dipole_interface.h,
-+
+        lj_interface.h, shapes.F90, simulation.F90: Added un-busticated
-+
+        fortran files and c/Fortran interfaces
-+
-+
+-10-22 15:21  gezelter
-+
-+
+        * src/types/: AtomType.cpp, AtomType.hpp, AtomTypeProperties.h,
-+
+        DirectionalAtomType.hpp, Makefile: More on AtomType and
-+
+        DirectionalAtomType
-+
-+
+-10-22 09:47  gezelter
-+
-+
+        * src/types/AtomType.hpp: Adding AtomType
-+
-+
+-10-21 16:31  tim
-+
-+
+        * ChangeLog, src/brains/Snapshot.hpp,
-+
+        src/brains/SnapshotManager.hpp, src/math/RectMatrix.hpp,
-+
+        src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp,
-+
+        src/math/Vector.hpp, src/math/Vector3.hpp,
-+
+        test/math/RectMatrixTestCase.cpp, test/math/VectorTestCase.cpp:
-+
+        Snapshot and SnapshotManager in progress
-+
-+
+-10-21 16:30  tim
-+
-+
+        * test/brains/: BrainsTest.cpp, Makefile,
-+
+        SnapshotManagerTestCase.cpp, SnapshotManagerTestCase.hpp,
-+
+        SnapshotTestCase.cpp, SnapshotTestCase.hpp: adding test case for
-+
+        Snapshot and snapshotManager.
-+
-+
+-10-21 15:15  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
-+
+        UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp,
-+
+        UseTheForce/WATER.cpp, UseTheForce/doForces.F90,
-+
+        UseTheForce/doForces_interface.h, UseTheForce/fForceField.h,
-+
+        UseTheForce/DarkSide/LJ.F90, UseTheForce/DarkSide/lj_interface.h,
-+
+        brains/SimSetup.cpp, types/AtomTypeProperties.h: Breaky Breaky.
-+
+        Fixey Fixey.
-+
-+
+-10-21 11:32  tim
-+
-+
+        * src/utils/GenericData.cpp, src/utils/Makefile,
-+
+        test/utils/Makefile, test/utils/UtilTest: remove some junk files
-+
-+
+-10-21 11:24  tim
-+
-+
+        * test/utils/GenericData.hpp: remove backup of  GenericData.hpp
-+
-+
+-10-21 11:22  tim
-+
-+
+        * ChangeLog, src/brains/SimSetup.cpp,
-+
+        src/constraints/ZConstraint.cpp, src/constraints/ZconsData.hpp,
-+
+        src/integrators/NPT.cpp, src/integrators/NPTf.cpp,
-+
+        src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp,
-+
+        src/integrators/NVT.cpp, src/io/DumpReader.cpp,
-+
+        src/io/InitializeFromFile.cpp, src/io/ZConsReader.cpp,
-+
+        src/io/ZConsWriter.hpp, src/primitives/StuntDouble.hpp,
-+
+        src/utils/GenericData.cpp, src/utils/GenericData.hpp,
-+
+        src/visitors/AtomData.hpp, src/visitors/AtomVisitor.cpp,
-+
+        src/visitors/AtomVisitor.hpp, src/visitors/CompositeVisitor.cpp,
-+
+        src/visitors/CompositeVisitor.hpp, src/visitors/OtherVisitor.cpp,
-+
+        src/visitors/OtherVisitor.hpp, src/visitors/RigidBodyVisitor.cpp,
-+
+        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
-+
+        src/visitors/ZconsVisitor.hpp: replace old GebericData with  new
-+
+        GenericData
-+
-+
+-10-21 10:25  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/: LJ.F90, eam.F90: Added newLJtype to lj
-+
+        module.
-+
-+
+-10-21 10:24  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/lj_interface.h: Added interface for
-+
+        fortran lj module.
-+
-+
+-10-20 17:54  tim
-+
-+
+        * ChangeLog, src/utils/PropertyMap.cpp, src/utils/PropertyMap.hpp,
-+
+        test/utils/GenericDataTestCase.cpp, test/utils/Makefile,
-+
+        test/utils/PropertyMapTestCase.cpp,
-+
+        test/utils/PropertyMapTestCase.hpp, test/utils/UtilTest:
-+
+        GenericData and PropertyMap  pass unit test.
-+
-+
+-10-20 16:52  gezelter
-+
-+
+        * src/UseTheForce/: DUFF.cpp, WATER.cpp, DarkSide/sticky.F90,
-+
+        DarkSide/sticky_interface.h: fixed a fortran name problem
-+
-+
+-10-20 16:38  tim
-+
-+
+        * test/utils/: GenericData.hpp, GenericDataTestCase.cpp,
-+
+        GenericDataTestCase.hpp, Makefile, PropertyMapTestCase.hpp,
-+
+        UtilTest, UtilTest.cpp: adding generic data test case
-+
-+
+-10-20 16:16  chuckv
-+
-+
+        * configure, ac-tools/aclocal.m4,
-+
+        src/UseTheForce/DarkSide/Makefile,
-+
+        src/UseTheForce/DarkSide/mpiSimulation.F90,
-+
+        src/UseTheForce/DarkSide/mpiSimulation_interface.h,
-+
+        src/UseTheForce/DarkSide/simParallel.F90,
-+
+        src/UseTheForce/DarkSide/simParallel_interface.h,
-+
+        src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp:
-+
+        Fortran/C++ interface de-obfuscation project appears to be
-+
+        complete!  Woo hoo!
-+
-+
+-10-20 15:47  chuckv
-+
-+
+        * src/UseTheForce/: fortranWrapDefines.hpp, fortranWrappers.cpp,
-+
+        fortranWrappers.hpp: Fortran/C++ interface de-obfuscation project
-+
+        continues
-+
-+
+-10-20 15:46  chuckv
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
-+
+        UseTheForce/LJFF.cpp, UseTheForce/Makefile, UseTheForce/WATER.cpp,
-+
+        UseTheForce/doForces_interface.h,
-+
+        UseTheForce/notifyCutoffs_interface.h, UseTheForce/wrappers.F90,
-+
+        UseTheForce/DarkSide/atype_interface.h,
-+
+        UseTheForce/DarkSide/eam_interface.h,
-+
+        UseTheForce/DarkSide/gb_interface.h,
-+
+        UseTheForce/DarkSide/mpiSimulation_interface.h,
-+
+        UseTheForce/DarkSide/shapes_interface.h,
-+
+        UseTheForce/DarkSide/simulation_interface.h,
-+
+        UseTheForce/DarkSide/sticky_interface.h, brains/ForceFields.cpp,
-+
+        brains/SimInfo.cpp, brains/SimInfo.hpp: Fortran/C++ interface
-+
+        de-obfuscation project (It is a very long story)
-+
-+
+-10-20 13:07  tim
-+
-+
+        * ChangeLog, src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp,
-+
+        test/math/SquareMatrix3TestCase.cpp,
-+
+        test/math/SquareMatrixTestCase.cpp,
-+
+        test/math/SquareMatrixTestCase.hpp: Math library pass the unit test
-+
-+
+-10-20 00:52  tim
-+
-+
+        * src/brains/: Snapshot.hpp, SnapshotManager.hpp: Snapshot and
-+
+        SnapshotManager in design phase
-+
-+
+-10-19 23:54  gezelter
-+
-+
+        * src/: brains/SimSetup.cpp, utils/StringUtils.cpp: namespace
-+
+        problem prevented linking
-+
-+
+-10-19 23:54  gezelter
-+
-+
+        * src/UseTheForce/Shapes_FF.cpp: fixed include
-+
-+
+-10-19 23:26  gezelter
-+
-+
+        * src/utils/: Makefile, definitions.F90, definitions_module.F90,
-+
+        oopseMPI.F90, oopseMPI_module.F90, status.F90, status_module.F90:
-+
+        more fortran name mangling
-+
-+
+-10-19 23:23  gezelter
-+
-+
+        * src/profiling/timing.F90: yet more fortran renaming
-+
-+
+-10-19 23:19  gezelter
-+
-+
+        * src/UseTheForce/: Makefile, doForces.F90, doForces_interface.h,
-+
+        do_Forces.F90, do_Forces.h, notifyCutoffs.F90,
-+
+        notifyCutoffs_interface.h, notifycutoffs_module_interface.h,
-+
+        wrappers.F90: Fortran name cleanup continues
-+
-+
+-10-19 23:12  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: atype.F90, simulation.F90: fixing some
-+
+        broken fortran stuff
-+
-+
+-10-19 23:02  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: LJ.F90, Makefile, atype.F90,
-+
+        atype_interface.h, atype_module.F90, atype_module_interface.h,
-+
+        calc_LJ_FF.F90, calc_charge_charge.F90, calc_dipole_dipole.F90,
-+
+        calc_eam.F90, calc_gb.F90, calc_reaction_field.F90,
-+
+        calc_shapes.F90, calc_sticky_pair.F90, charge.F90, dipole.F90,
-+
+        eam.F90, eam_interface.h, eam_module_inteface.h, gb.F90,
-+
+        gb_interface.h, gb_module_interface.h, mpiSimulation.F90,
-+
+        mpiSimulation_interface.h, mpiSimulation_module.F90,
-+
+        mpisimulation_module_interface.h, reactionField.F90, shapes.F90,
-+
+        shapes_interface.h, shapes_module.h, simulation.F90,
-+
+        simulation_interface.h, simulation_module.F90,
-+
+        simulation_module_interface.h, sticky.F90, sticky_interface.h,
-+
+        sticky_pair_module_interface.h, switch_module.F90, switcheroo.F90:
-+
+        name sanity on the fortran side
-+
-+
+-10-19 19:18  tim
-+
-+
+        * test/math/SquareMatrix3TestCase.hpp: [no log message]
-+
-+
+-10-19 18:01  tim
-+
-+
+        * src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
-+
+        src/math/SquareMatrix3.hpp, test/math/SquareMatrix3TestCase.cpp:
-+
+        except diagonalize(), all of functions in math library pass the
-+
+        test
-+
-+
+-10-19 17:43  chuckv
-+
-+
+        * src/UseTheForce/do_Forces.h: Added correct prototypes for
-+
+        C-fortran interface functions.
-+
-+
+-10-19 17:37  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/: atype_module_interface.h,
-+
+        eam_module_inteface.h, gb_module_interface.h,
-+
+        mpisimulation_module_interface.h, simulation_module_interface.h,
-+
+        sticky_pair_module_interface.h: Added correct prototypes for
-+
+        C-fortran interface functions.
-+
-+
+-10-19 16:28  tim
-+
-+
+        * ChangeLog, src/math/Quaternion.hpp, src/math/RectMatrix.hpp,
-+
+        src/math/SquareMatrix.hpp, src/math/Vector.hpp,
-+
+        test/math/QuaternionTestCase.cpp, test/math/QuaternionTestCase.hpp,
-+
+        test/math/RectMatrixTestCase.cpp,
-+
+        test/math/SquareMatrix3TestCase.cpp, test/math/Vector3TestCase.cpp,
-+
+        test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp: more
-+
+        bugs get fixed at math library
-+
-+
+-10-19 15:43  chuckv
-+
-+
+        * src/UseTheForce/: DarkSide/atype_module_interface.h,
-+
+        DarkSide/eam_module_inteface.h, DarkSide/gb_module_interface.h,
-+
+        DarkSide/mpisimulation_module_interface.h,
-+
+        DarkSide/simulation_module_interface.h,
-+
+        DarkSide/sticky_pair_module_interface.h, DarkSide/calc_eam.F90,
-+
+        DarkSide/atype_module.F90, DarkSide/calc_gb.F90,
-+
+        DarkSide/calc_sticky_pair.F90, DarkSide/mpiSimulation_module.F90,
-+
+        DarkSide/simulation_module.F90, do_Forces.F90,
-+
+        fortranWrapDefines.hpp, mpiComponentPlan.h, notifyCutoffs.F90,
-+
+        notifycutoffs_module_interface.h: Added new files for fortran
-+
+        interface.
-+
-+
+-10-19 15:43  gezelter
-+
-+
+        * src/UseTheForce/Makefile: regressing
-+
-+
+-10-19 15:40  gezelter
-+
-+
+        * src/: UseTheForce/DarkSide/calc_shapes.F90,
-+
+        UseTheForce/DarkSide/shapes_module.h, utils/StringUtils.cpp:
-+
+        working on shapes for portability
-+
-+
+-10-19 15:40  gezelter
-+
-+
+        * src/UseTheForce/: Makefile, Shapes_FF.cpp: working on shapes
-+
-+
+-10-19 13:21  chrisfen
-+
-+
+        * src/utils/: StringUtils.cpp, StringUtils.hpp: changed around
-+
+        findBegin
-+
-+
+-10-18 23:34  tim
-+
-+
+        * src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp: more bugs
-+
+        are fixed in Vector class
-+
-+
+-10-18 23:28  tim
-+
-+
+        * test/math/: RectMatrixTestCase.cpp, RectMatrixTestCase.hpp: fix
-+
+        some bugs in RectMatrixTestCase
-+
-+
+-10-18 23:21  tim
-+
-+
+        * src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp,
-+
+        test/math/RectMatrixTestCase.hpp, test/math/Vector3TestCase.cpp,
-+
+        test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp,
-+
+        test/math/VectorTestCase.hpp: implement more test cases
-+
-+
+-10-18 18:13  tim
-+
-+
+        * ChangeLog, make/Doxyfile, src/math/Matrix3x3d.hpp,
-+
+        src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
-+
+        src/math/SquareMatrix3.hpp, src/math/Vector.hpp,
-+
+        src/utils/StringTokenizer.hpp, test/math/Makefile,
-+
+        test/math/VectorTestCase.cpp, test/math/VectorTestCase.hpp: more
-+
+        tests on math library
-+
-+
+-10-18 16:03  tim
-+
-+
+        * test/math/: Makefile, QuaternionTestCase.cpp,
-+
+        QuaternionTestCase.hpp, RectMatrixTestCase.cpp,
-+
+        SquareMatrix3TestCase.cpp, Vector3TestCase.cpp,
-+
+        Vector3TestCase.hpp, VectorTestCase.cpp, VectorTestCase.hpp: adding
-+
+        more testing units
-+
-+
+-10-18 12:07  tim
-+
-+
+        * src/: brains/SimSetup.hpp, io/FileReader.hpp, math/Euler3.cpp,
-+
+        math/Euler3.hpp, math/Quaternion.hpp, math/SquareMatrix3.hpp,
-+
+        math/Vector3.hpp, types/ShapeType.cpp, types/ShapeType.hpp,
-+
+        utils/GenericFactory.hpp: fix some bugs in Quaternion class
-+
-+
+-10-18 11:30  gezelter
-+
-+
+        * src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp:
-+
+        Your basic run of the mill real-valued versions of Y_l^m(\theta,
-+
+        \phi)
-+
-+
+-10-18 11:29  gezelter
-+
-+
+        * src/: math/Makefile, math/Matrix3x3d.hpp, math/Vector3.hpp,
-+
+        types/Makefile, types/ShapeType.cpp, types/ShapeType.hpp,
-+
+        utils/StringUtils.cpp, utils/StringUtils.hpp: Working on getting
-+
+        Shapes into OOPSE
-+
-+
+-10-18 10:21  gezelter
-+
-+
+        * src/types/: ShapeType.cpp, ShapeType.hpp: Added ShapeType
-+
-+
+-10-18 00:23  tim
-+
-+
+        * test/math/VectorTestCase.hpp: adding  vector test case
-+
-+
+-10-18 00:23  tim
-+
-+
+        * src/utils/GenericFactory.hpp: adding generic factory and vector
-+
+        test case
-+
+-10-16 20:19  tim
+        * src/math/: Quaternion.hpp, RectMatrix.hpp, SquareMatrix.hpp,
+-09-29 12:56  gezelter
-<
+        * make/: Make.conf.in, Makefile.in, _files/style.css: Working on
-<
+        make stuff
->
+        * make/: Make.conf.in, Makefile.in: Working on make stuff
+-09-29 12:46  tim
+        src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
+        src/visitors/RigidBodyVisitor.cpp,
+        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
-<
+        src/visitors/ZconsVisitor.hpp, make/Makefile,
-<
+        make/_files/style.css, samples/Makefile.in,
->
+        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
+        samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
+        samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
+        samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
+        src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
+        src/visitors/RigidBodyVisitor.cpp,
+        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
-<
+        src/visitors/ZconsVisitor.hpp, make/Makefile,
-<
+        make/_files/style.css, samples/Makefile.in,
->
+        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
+        samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
+        samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
+        samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,

Diff Legend

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines

Comparing trunk/OOPSE-2.0/ChangeLog (file contents): Revision 1594 by tim, Mon Oct 18 23:13:23 2004 UTC vs. Revision 1712 by tim, Thu Nov 4 20:55:01 2004 UTC

Diff Legend

Comparing trunk/OOPSE-2.0/ChangeLog (file contents):
Revision 1594 by tim, Mon Oct 18 23:13:23 2004 UTC vs.
Revision 1712 by tim, Thu Nov 4 20:55:01 2004 UTC