1 |
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2004-10-22 18:09 tim |
2 |
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* ChangeLog, src/brains/Snapshot.hpp, |
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src/brains/SnapshotManager.hpp, src/math/SquareMatrix.hpp, |
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test/brains/SnapshotTestCase.cpp, test/brains/SnapshotTestCase.hpp, |
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test/brains/StuntDouble.hpp: more work in Snapshot |
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|
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2004-10-22 17:59 chrisfen |
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* src/: UseTheForce/LJFF.cpp, |
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UseTheForce/DarkSide/atype_interface.h, types/AtomType.cpp: Dear |
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god! It runs and conserves energy! |
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|
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2004-10-22 17:54 chrisfen |
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* src/types/: AtomType.cpp, AtomType.hpp: strDUP not strCOPY |
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|
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2004-10-22 17:53 chrisfen |
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|
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* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
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UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp, |
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UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
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brains/SimInfo.cpp, brains/SimInfo.hpp: fixey fixey the breakey |
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breakey |
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|
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2004-10-22 17:53 chrisfen |
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* make/Makefile.in: compiler flags |
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2004-10-22 16:20 gezelter |
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|
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* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
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UseTheForce/LJFF.cpp, UseTheForce/doForces.F90, |
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brains/fSimulation.h, types/AtomType.hpp, |
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types/DirectionalAtomType.hpp: fixey fixey |
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|
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2004-10-22 15:22 gezelter |
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|
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* src/UseTheForce/DarkSide/: LJ.F90, atype.F90, atype_interface.h, |
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charge.F90, charge_interface.h, dipole.F90, dipole_interface.h, |
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lj_interface.h, shapes.F90, simulation.F90: Added un-busticated |
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fortran files and c/Fortran interfaces |
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2004-10-22 15:21 gezelter |
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|
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* src/types/: AtomType.cpp, AtomType.hpp, AtomTypeProperties.h, |
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DirectionalAtomType.hpp, Makefile: More on AtomType and |
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DirectionalAtomType |
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|
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2004-10-22 09:47 gezelter |
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|
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* src/types/AtomType.hpp: Adding AtomType |
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|
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2004-10-21 16:31 tim |
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|
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* ChangeLog, src/brains/Snapshot.hpp, |
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src/brains/SnapshotManager.hpp, src/math/RectMatrix.hpp, |
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src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp, |
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src/math/Vector.hpp, src/math/Vector3.hpp, |
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test/math/RectMatrixTestCase.cpp, test/math/VectorTestCase.cpp: |
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Snapshot and SnapshotManager in progress |
62 |
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|
63 |
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2004-10-21 16:30 tim |
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|
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* test/brains/: BrainsTest.cpp, Makefile, |
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SnapshotManagerTestCase.cpp, SnapshotManagerTestCase.hpp, |
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SnapshotTestCase.cpp, SnapshotTestCase.hpp: adding test case for |
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Snapshot and snapshotManager. |
69 |
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|
70 |
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2004-10-21 15:15 gezelter |
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|
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* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
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UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp, |
74 |
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UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp, |
75 |
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UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
76 |
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UseTheForce/doForces_interface.h, UseTheForce/fForceField.h, |
77 |
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UseTheForce/DarkSide/LJ.F90, UseTheForce/DarkSide/lj_interface.h, |
78 |
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brains/SimSetup.cpp, types/AtomTypeProperties.h: Breaky Breaky. |
79 |
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Fixey Fixey. |
80 |
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|
81 |
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2004-10-21 11:32 tim |
82 |
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|
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* src/utils/GenericData.cpp, src/utils/Makefile, |
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test/utils/Makefile, test/utils/UtilTest: remove some junk files |
85 |
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|
86 |
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2004-10-21 11:24 tim |
87 |
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|
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* test/utils/GenericData.hpp: remove backup of GenericData.hpp |
89 |
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|
90 |
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2004-10-21 11:22 tim |
91 |
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|
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* ChangeLog, src/brains/SimSetup.cpp, |
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src/constraints/ZConstraint.cpp, src/constraints/ZconsData.hpp, |
94 |
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src/integrators/NPT.cpp, src/integrators/NPTf.cpp, |
95 |
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src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp, |
96 |
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src/integrators/NVT.cpp, src/io/DumpReader.cpp, |
97 |
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src/io/InitializeFromFile.cpp, src/io/ZConsReader.cpp, |
98 |
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src/io/ZConsWriter.hpp, src/primitives/StuntDouble.hpp, |
99 |
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src/utils/GenericData.cpp, src/utils/GenericData.hpp, |
100 |
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src/visitors/AtomData.hpp, src/visitors/AtomVisitor.cpp, |
101 |
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src/visitors/AtomVisitor.hpp, src/visitors/CompositeVisitor.cpp, |
102 |
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src/visitors/CompositeVisitor.hpp, src/visitors/OtherVisitor.cpp, |
103 |
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src/visitors/OtherVisitor.hpp, src/visitors/RigidBodyVisitor.cpp, |
104 |
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src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp, |
105 |
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src/visitors/ZconsVisitor.hpp: replace old GebericData with new |
106 |
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GenericData |
107 |
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|
108 |
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2004-10-21 10:25 chuckv |
109 |
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|
110 |
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* src/UseTheForce/DarkSide/: LJ.F90, eam.F90: Added newLJtype to lj |
111 |
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module. |
112 |
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|
113 |
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2004-10-21 10:24 chuckv |
114 |
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|
115 |
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* src/UseTheForce/DarkSide/lj_interface.h: Added interface for |
116 |
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fortran lj module. |
117 |
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|
118 |
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2004-10-20 17:54 tim |
119 |
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120 |
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* ChangeLog, src/utils/PropertyMap.cpp, src/utils/PropertyMap.hpp, |