1 |
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2004-10-25 12:03 tim |
2 |
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|
3 |
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* ChangeLog, src/utils/GenericFactory.hpp, |
4 |
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test/utils/GenericFactoryTestCase.cpp, |
5 |
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test/utils/GenericFactoryTestCase.hpp, test/utils/Makefile: adding |
6 |
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GenericFactory Test Case. GenericFactory now can bed used to creat |
7 |
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ForcefieldFactory and IntegratorFactory etc. |
8 |
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|
9 |
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2004-10-24 23:08 tim |
10 |
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|
11 |
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* src/: brains/SimModel.hpp, brains/SimSnapshotManager.cpp, |
12 |
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brains/SimSnapshotManager.hpp, brains/Snapshot.hpp, |
13 |
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brains/SnapshotManager.hpp, utils/GenericFactory.hpp: more classes |
14 |
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get reconstructed |
15 |
+ |
|
16 |
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2004-10-24 02:55 tim |
17 |
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|
18 |
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* src/utils/GenericFactory.hpp: GenericFactory pass unit test |
19 |
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|
20 |
+ |
2004-10-23 18:09 tim |
21 |
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|
22 |
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* test/brains/: Atom.hpp, DirectionalAtom.hpp, RigidBody.hpp, |
23 |
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StuntDouble.cpp, StuntDouble.hpp, Atom.cpp, DirectioanlAtom.cpp, |
24 |
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RigidBody.cpp: Refactoring in progress |
25 |
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|
26 |
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2004-10-22 18:09 tim |
27 |
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|
28 |
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* ChangeLog, src/brains/Snapshot.hpp, |
29 |
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src/brains/SnapshotManager.hpp, src/math/SquareMatrix.hpp, |
30 |
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test/brains/SnapshotTestCase.cpp, test/brains/SnapshotTestCase.hpp, |
31 |
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test/brains/StuntDouble.hpp: more work in Snapshot |
32 |
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|
33 |
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2004-10-22 17:59 chrisfen |
34 |
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|
35 |
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* src/: UseTheForce/LJFF.cpp, |
36 |
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UseTheForce/DarkSide/atype_interface.h, types/AtomType.cpp: Dear |
37 |
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god! It runs and conserves energy! |
38 |
+ |
|
39 |
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2004-10-22 17:54 chrisfen |
40 |
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|
41 |
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* src/types/: AtomType.cpp, AtomType.hpp: strDUP not strCOPY |
42 |
+ |
|
43 |
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2004-10-22 17:53 chrisfen |
44 |
+ |
|
45 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
46 |
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UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp, |
47 |
+ |
UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
48 |
+ |
brains/SimInfo.cpp, brains/SimInfo.hpp: fixey fixey the breakey |
49 |
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breakey |
50 |
+ |
|
51 |
+ |
2004-10-22 17:53 chrisfen |
52 |
+ |
|
53 |
+ |
* make/Makefile.in: compiler flags |
54 |
+ |
|
55 |
+ |
2004-10-22 16:20 gezelter |
56 |
+ |
|
57 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
58 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/doForces.F90, |
59 |
+ |
brains/fSimulation.h, types/AtomType.hpp, |
60 |
+ |
types/DirectionalAtomType.hpp: fixey fixey |
61 |
+ |
|
62 |
+ |
2004-10-22 15:22 gezelter |
63 |
+ |
|
64 |
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* src/UseTheForce/DarkSide/: LJ.F90, atype.F90, atype_interface.h, |
65 |
+ |
charge.F90, charge_interface.h, dipole.F90, dipole_interface.h, |
66 |
+ |
lj_interface.h, shapes.F90, simulation.F90: Added un-busticated |
67 |
+ |
fortran files and c/Fortran interfaces |
68 |
+ |
|
69 |
+ |
2004-10-22 15:21 gezelter |
70 |
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|
71 |
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* src/types/: AtomType.cpp, AtomType.hpp, AtomTypeProperties.h, |
72 |
+ |
DirectionalAtomType.hpp, Makefile: More on AtomType and |
73 |
+ |
DirectionalAtomType |
74 |
+ |
|
75 |
+ |
2004-10-22 09:47 gezelter |
76 |
+ |
|
77 |
+ |
* src/types/AtomType.hpp: Adding AtomType |
78 |
+ |
|
79 |
+ |
2004-10-21 16:31 tim |
80 |
+ |
|
81 |
+ |
* ChangeLog, src/brains/Snapshot.hpp, |
82 |
+ |
src/brains/SnapshotManager.hpp, src/math/RectMatrix.hpp, |
83 |
+ |
src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp, |
84 |
+ |
src/math/Vector.hpp, src/math/Vector3.hpp, |
85 |
+ |
test/math/RectMatrixTestCase.cpp, test/math/VectorTestCase.cpp: |
86 |
+ |
Snapshot and SnapshotManager in progress |
87 |
+ |
|
88 |
+ |
2004-10-21 16:30 tim |
89 |
+ |
|
90 |
+ |
* test/brains/: BrainsTest.cpp, Makefile, |
91 |
+ |
SnapshotManagerTestCase.cpp, SnapshotManagerTestCase.hpp, |
92 |
+ |
SnapshotTestCase.cpp, SnapshotTestCase.hpp: adding test case for |
93 |
+ |
Snapshot and snapshotManager. |
94 |
+ |
|
95 |
+ |
2004-10-21 15:15 gezelter |
96 |
+ |
|
97 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
98 |
+ |
UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp, |
99 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp, |
100 |
+ |
UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
101 |
+ |
UseTheForce/doForces_interface.h, UseTheForce/fForceField.h, |
102 |
+ |
UseTheForce/DarkSide/LJ.F90, UseTheForce/DarkSide/lj_interface.h, |
103 |
+ |
brains/SimSetup.cpp, types/AtomTypeProperties.h: Breaky Breaky. |
104 |
+ |
Fixey Fixey. |
105 |
+ |
|
106 |
+ |
2004-10-21 11:32 tim |
107 |
+ |
|
108 |
+ |
* src/utils/GenericData.cpp, src/utils/Makefile, |
109 |
+ |
test/utils/Makefile, test/utils/UtilTest: remove some junk files |
110 |
+ |
|
111 |
+ |
2004-10-21 11:24 tim |
112 |
+ |
|
113 |
+ |
* test/utils/GenericData.hpp: remove backup of GenericData.hpp |
114 |
+ |
|
115 |
+ |
2004-10-21 11:22 tim |
116 |
+ |
|
117 |
+ |
* ChangeLog, src/brains/SimSetup.cpp, |
118 |
+ |
src/constraints/ZConstraint.cpp, src/constraints/ZconsData.hpp, |
119 |
+ |
src/integrators/NPT.cpp, src/integrators/NPTf.cpp, |
120 |
+ |
src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp, |
121 |
+ |
src/integrators/NVT.cpp, src/io/DumpReader.cpp, |
122 |
+ |
src/io/InitializeFromFile.cpp, src/io/ZConsReader.cpp, |
123 |
+ |
src/io/ZConsWriter.hpp, src/primitives/StuntDouble.hpp, |
124 |
+ |
src/utils/GenericData.cpp, src/utils/GenericData.hpp, |
125 |
+ |
src/visitors/AtomData.hpp, src/visitors/AtomVisitor.cpp, |
126 |
+ |
src/visitors/AtomVisitor.hpp, src/visitors/CompositeVisitor.cpp, |
127 |
+ |
src/visitors/CompositeVisitor.hpp, src/visitors/OtherVisitor.cpp, |
128 |
+ |
src/visitors/OtherVisitor.hpp, src/visitors/RigidBodyVisitor.cpp, |
129 |
+ |
src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp, |
130 |
+ |
src/visitors/ZconsVisitor.hpp: replace old GebericData with new |
131 |
+ |
GenericData |
132 |
+ |
|
133 |
+ |
2004-10-21 10:25 chuckv |
134 |
+ |
|
135 |
+ |
* src/UseTheForce/DarkSide/: LJ.F90, eam.F90: Added newLJtype to lj |
136 |
+ |
module. |
137 |
+ |
|
138 |
+ |
2004-10-21 10:24 chuckv |
139 |
+ |
|
140 |
+ |
* src/UseTheForce/DarkSide/lj_interface.h: Added interface for |
141 |
+ |
fortran lj module. |
142 |
+ |
|
143 |
+ |
2004-10-20 17:54 tim |
144 |
+ |
|
145 |
+ |
* ChangeLog, src/utils/PropertyMap.cpp, src/utils/PropertyMap.hpp, |
146 |
+ |
test/utils/GenericDataTestCase.cpp, test/utils/Makefile, |
147 |
+ |
test/utils/PropertyMapTestCase.cpp, |
148 |
+ |
test/utils/PropertyMapTestCase.hpp, test/utils/UtilTest: |
149 |
+ |
GenericData and PropertyMap pass unit test. |
150 |
+ |
|
151 |
+ |
2004-10-20 16:52 gezelter |
152 |
+ |
|
153 |
+ |
* src/UseTheForce/: DUFF.cpp, WATER.cpp, DarkSide/sticky.F90, |
154 |
+ |
DarkSide/sticky_interface.h: fixed a fortran name problem |
155 |
+ |
|
156 |
+ |
2004-10-20 16:38 tim |
157 |
+ |
|
158 |
+ |
* test/utils/: GenericData.hpp, GenericDataTestCase.cpp, |
159 |
+ |
GenericDataTestCase.hpp, Makefile, PropertyMapTestCase.hpp, |
160 |
+ |
UtilTest, UtilTest.cpp: adding generic data test case |
161 |
+ |
|
162 |
+ |
2004-10-20 16:16 chuckv |
163 |
+ |
|
164 |
+ |
* configure, ac-tools/aclocal.m4, |
165 |
+ |
src/UseTheForce/DarkSide/Makefile, |
166 |
+ |
src/UseTheForce/DarkSide/mpiSimulation.F90, |
167 |
+ |
src/UseTheForce/DarkSide/mpiSimulation_interface.h, |
168 |
+ |
src/UseTheForce/DarkSide/simParallel.F90, |
169 |
+ |
src/UseTheForce/DarkSide/simParallel_interface.h, |
170 |
+ |
src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp: |
171 |
+ |
Fortran/C++ interface de-obfuscation project appears to be |
172 |
+ |
complete! Woo hoo! |
173 |
+ |
|
174 |
+ |
2004-10-20 15:47 chuckv |
175 |
+ |
|
176 |
+ |
* src/UseTheForce/: fortranWrapDefines.hpp, fortranWrappers.cpp, |
177 |
+ |
fortranWrappers.hpp: Fortran/C++ interface de-obfuscation project |
178 |
+ |
continues |
179 |
+ |
|
180 |
+ |
2004-10-20 15:46 chuckv |
181 |
+ |
|
182 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
183 |
+ |
UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp, |
184 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/Makefile, UseTheForce/WATER.cpp, |
185 |
+ |
UseTheForce/doForces_interface.h, |
186 |
+ |
UseTheForce/notifyCutoffs_interface.h, UseTheForce/wrappers.F90, |
187 |
+ |
UseTheForce/DarkSide/atype_interface.h, |
188 |
+ |
UseTheForce/DarkSide/eam_interface.h, |
189 |
+ |
UseTheForce/DarkSide/gb_interface.h, |
190 |
+ |
UseTheForce/DarkSide/mpiSimulation_interface.h, |
191 |
+ |
UseTheForce/DarkSide/shapes_interface.h, |
192 |
+ |
UseTheForce/DarkSide/simulation_interface.h, |
193 |
+ |
UseTheForce/DarkSide/sticky_interface.h, brains/ForceFields.cpp, |
194 |
+ |
brains/SimInfo.cpp, brains/SimInfo.hpp: Fortran/C++ interface |
195 |
+ |
de-obfuscation project (It is a very long story) |
196 |
+ |
|
197 |
+ |
2004-10-20 13:07 tim |
198 |
+ |
|
199 |
+ |
* ChangeLog, src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp, |
200 |
+ |
test/math/SquareMatrix3TestCase.cpp, |
201 |
+ |
test/math/SquareMatrixTestCase.cpp, |
202 |
+ |
test/math/SquareMatrixTestCase.hpp: Math library pass the unit test |
203 |
+ |
|
204 |
|
2004-10-20 00:52 tim |
205 |
|
|
206 |
|
* src/brains/: Snapshot.hpp, SnapshotManager.hpp: Snapshot and |
1093 |
|
forceFields/Al.VC.funcfl, forceFields/Au.VC.funcfl, |
1094 |
|
forceFields/Au.u3.funcfl, forceFields/LJFF.frc, |
1095 |
|
forceFields/Ni.VC.funcfl, forceFields/Pd.u3.funcfl, |
1096 |
< |
forceFields/Pt.VC.funcfl: Import of OOPSE v. 2.0 |
1096 |
> |
forceFields/Pt.VC.funcfl: Initial revision |
1097 |
|
|
1098 |
|
2004-09-23 23:16 gezelter |
1099 |
|
|
1268 |
|
forceFields/Al.VC.funcfl, forceFields/Au.VC.funcfl, |
1269 |
|
forceFields/Au.u3.funcfl, forceFields/LJFF.frc, |
1270 |
|
forceFields/Ni.VC.funcfl, forceFields/Pd.u3.funcfl, |
1271 |
< |
forceFields/Pt.VC.funcfl: Initial revision |
1271 |
> |
forceFields/Pt.VC.funcfl: Import of OOPSE v. 2.0 |
1272 |
|
|