1 |
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2004-10-26 22:00 gezelter |
2 |
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|
3 |
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* src/UseTheForce/: EAM_FF.cpp, ForceFields.hpp: bug fix |
4 |
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|
5 |
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2004-10-26 21:20 gezelter |
6 |
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|
7 |
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* src/UseTheForce/ForceFields.hpp: subclass foo |
8 |
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|
9 |
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2004-10-26 21:16 gezelter |
10 |
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|
11 |
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* src/UseTheForce/: EAM_FF.cpp, LJFF.cpp, WATER.cpp: more char* -> |
12 |
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string conversion |
13 |
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|
14 |
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2004-10-26 19:01 gezelter |
15 |
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|
16 |
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* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
17 |
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UseTheForce/ForceFields.hpp, brains/SimSetup.cpp, |
18 |
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brains/SimSetup.hpp: char* -> string |
19 |
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|
20 |
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2004-10-26 17:25 gezelter |
21 |
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|
22 |
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* src/types/: AtomType.cpp, AtomType.hpp, DirectionalAtomType.hpp, |
23 |
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Makefile, ShapeAtomType.cpp, ShapeAtomType.hpp, ShapeType.cpp, |
24 |
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ShapeType.hpp: Making ShapeType into a ShapeAtomType, fixing some |
25 |
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isXXX |
26 |
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|
27 |
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2004-10-26 17:25 gezelter |
28 |
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|
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* src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp: |
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define name collision |
31 |
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|
32 |
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2004-10-26 17:24 gezelter |
33 |
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|
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* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
35 |
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UseTheForce/ForceFields.hpp, UseTheForce/LJFF.cpp, |
36 |
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UseTheForce/Makefile, UseTheForce/Shapes_FF.cpp, |
37 |
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UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
38 |
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UseTheForce/DarkSide/shapes_interface.h, brains/SimSetup.cpp: |
39 |
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forcefield refactoring for shapes |
40 |
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|
41 |
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2004-10-26 17:19 tim |
42 |
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|
43 |
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* ChangeLog, src/brains/DataStorage.cpp, |
44 |
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src/brains/DataStorage.hpp, src/brains/Snapshot.hpp, |
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test/brains/DataStorageTestCase.cpp, |
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test/brains/DataStorageTestCase.hpp, test/brains/Makefile: |
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DataStorage passes unit test |
48 |
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|
49 |
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2004-10-26 13:03 chrisfen |
50 |
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|
51 |
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* src/UseTheForce/DarkSide/: shapes.F90, shapes_interface.h: |
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Changes to help advance shapes |
53 |
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|
54 |
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2004-10-26 13:02 chrisfen |
55 |
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|
56 |
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* src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp: Changes to |
57 |
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Shapes force field reader |
58 |
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|
59 |
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2004-10-26 12:28 tim |
60 |
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|
61 |
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* src/brains/Snapshot.hpp, test/brains/RigidBody.hpp: Snaphot and |
62 |
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SnapshotTestCase in progress |
63 |
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|
64 |
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2004-10-25 17:46 tim |
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|
66 |
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* ChangeLog, src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp, |
67 |
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src/math/SquareMatrix3.hpp, src/math/Vector.hpp, |
68 |
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src/math/Vector3.hpp, test/brains/StuntDouble.hpp, |
69 |
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test/math/RectMatrixTestCase.cpp, test/math/Vector3TestCase.cpp, |
70 |
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test/math/VectorTestCase.cpp: add getArray function to RectMatrix |
71 |
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and Vector classes |
72 |
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|
73 |
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2004-10-25 12:03 tim |
74 |
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|
75 |
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* ChangeLog, src/utils/GenericFactory.hpp, |
76 |
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test/utils/GenericFactoryTestCase.cpp, |
77 |
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test/utils/GenericFactoryTestCase.hpp, test/utils/Makefile: adding |
78 |
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GenericFactory Test Case. GenericFactory now can bed used to creat |
79 |
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ForcefieldFactory and IntegratorFactory etc. |
80 |
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|
81 |
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2004-10-24 23:08 tim |
82 |
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|
83 |
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* src/: brains/SimModel.hpp, brains/SimSnapshotManager.cpp, |
84 |
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brains/SimSnapshotManager.hpp, brains/Snapshot.hpp, |
85 |
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brains/SnapshotManager.hpp, utils/GenericFactory.hpp: more classes |
86 |
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get reconstructed |
87 |
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|
88 |
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2004-10-24 02:55 tim |
89 |
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|
90 |
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* src/utils/GenericFactory.hpp: GenericFactory pass unit test |
91 |
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|
92 |
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2004-10-23 18:09 tim |
93 |
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|
94 |
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* test/brains/: Atom.hpp, DirectionalAtom.hpp, RigidBody.hpp, |
95 |
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StuntDouble.cpp, StuntDouble.hpp, Atom.cpp, DirectioanlAtom.cpp, |
96 |
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RigidBody.cpp: Refactoring in progress |
97 |
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|
98 |
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2004-10-22 18:09 tim |
99 |
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|
100 |
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* ChangeLog, src/brains/Snapshot.hpp, |
101 |
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src/brains/SnapshotManager.hpp, src/math/SquareMatrix.hpp, |
102 |
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test/brains/SnapshotTestCase.cpp, test/brains/SnapshotTestCase.hpp, |
103 |
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test/brains/StuntDouble.hpp: more work in Snapshot |
104 |
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|
105 |
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2004-10-22 17:59 chrisfen |
106 |
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|
107 |
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* src/: UseTheForce/LJFF.cpp, |
108 |
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UseTheForce/DarkSide/atype_interface.h, types/AtomType.cpp: Dear |
109 |
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god! It runs and conserves energy! |
110 |
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|
111 |
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2004-10-22 17:54 chrisfen |
112 |
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|
113 |
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* src/types/: AtomType.cpp, AtomType.hpp: strDUP not strCOPY |
114 |
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|
115 |
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2004-10-22 17:53 chrisfen |
116 |
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|
117 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
118 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp, |
119 |
+ |
UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
120 |
+ |
brains/SimInfo.cpp, brains/SimInfo.hpp: fixey fixey the breakey |
121 |
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breakey |
122 |
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|
123 |
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2004-10-22 17:53 chrisfen |
124 |
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|
125 |
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* make/Makefile.in: compiler flags |
126 |
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|
127 |
+ |
2004-10-22 16:20 gezelter |
128 |
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|
129 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
130 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/doForces.F90, |
131 |
+ |
brains/fSimulation.h, types/AtomType.hpp, |
132 |
+ |
types/DirectionalAtomType.hpp: fixey fixey |
133 |
+ |
|
134 |
+ |
2004-10-22 15:22 gezelter |
135 |
+ |
|
136 |
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* src/UseTheForce/DarkSide/: LJ.F90, atype.F90, atype_interface.h, |
137 |
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charge.F90, charge_interface.h, dipole.F90, dipole_interface.h, |
138 |
+ |
lj_interface.h, shapes.F90, simulation.F90: Added un-busticated |
139 |
+ |
fortran files and c/Fortran interfaces |
140 |
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|
141 |
+ |
2004-10-22 15:21 gezelter |
142 |
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|
143 |
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* src/types/: AtomType.cpp, AtomType.hpp, AtomTypeProperties.h, |
144 |
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DirectionalAtomType.hpp, Makefile: More on AtomType and |
145 |
+ |
DirectionalAtomType |
146 |
+ |
|
147 |
+ |
2004-10-22 09:47 gezelter |
148 |
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|
149 |
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* src/types/AtomType.hpp: Adding AtomType |
150 |
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|
151 |
+ |
2004-10-21 16:31 tim |
152 |
+ |
|
153 |
+ |
* ChangeLog, src/brains/Snapshot.hpp, |
154 |
+ |
src/brains/SnapshotManager.hpp, src/math/RectMatrix.hpp, |
155 |
+ |
src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp, |
156 |
+ |
src/math/Vector.hpp, src/math/Vector3.hpp, |
157 |
+ |
test/math/RectMatrixTestCase.cpp, test/math/VectorTestCase.cpp: |
158 |
+ |
Snapshot and SnapshotManager in progress |
159 |
+ |
|
160 |
+ |
2004-10-21 16:30 tim |
161 |
+ |
|
162 |
+ |
* test/brains/: BrainsTest.cpp, Makefile, |
163 |
+ |
SnapshotManagerTestCase.cpp, SnapshotManagerTestCase.hpp, |
164 |
+ |
SnapshotTestCase.cpp, SnapshotTestCase.hpp: adding test case for |
165 |
+ |
Snapshot and snapshotManager. |
166 |
+ |
|
167 |
+ |
2004-10-21 15:15 gezelter |
168 |
+ |
|
169 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
170 |
+ |
UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp, |
171 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp, |
172 |
+ |
UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
173 |
+ |
UseTheForce/doForces_interface.h, UseTheForce/fForceField.h, |
174 |
+ |
UseTheForce/DarkSide/LJ.F90, UseTheForce/DarkSide/lj_interface.h, |
175 |
+ |
brains/SimSetup.cpp, types/AtomTypeProperties.h: Breaky Breaky. |
176 |
+ |
Fixey Fixey. |
177 |
+ |
|
178 |
+ |
2004-10-21 11:32 tim |
179 |
+ |
|
180 |
+ |
* src/utils/GenericData.cpp, src/utils/Makefile, |
181 |
+ |
test/utils/Makefile, test/utils/UtilTest: remove some junk files |
182 |
+ |
|
183 |
+ |
2004-10-21 11:24 tim |
184 |
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|
185 |
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* test/utils/GenericData.hpp: remove backup of GenericData.hpp |
186 |
+ |
|
187 |
+ |
2004-10-21 11:22 tim |
188 |
+ |
|
189 |
+ |
* ChangeLog, src/brains/SimSetup.cpp, |
190 |
+ |
src/constraints/ZConstraint.cpp, src/constraints/ZconsData.hpp, |
191 |
+ |
src/integrators/NPT.cpp, src/integrators/NPTf.cpp, |
192 |
+ |
src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp, |
193 |
+ |
src/integrators/NVT.cpp, src/io/DumpReader.cpp, |
194 |
+ |
src/io/InitializeFromFile.cpp, src/io/ZConsReader.cpp, |
195 |
+ |
src/io/ZConsWriter.hpp, src/primitives/StuntDouble.hpp, |
196 |
+ |
src/utils/GenericData.cpp, src/utils/GenericData.hpp, |
197 |
+ |
src/visitors/AtomData.hpp, src/visitors/AtomVisitor.cpp, |
198 |
+ |
src/visitors/AtomVisitor.hpp, src/visitors/CompositeVisitor.cpp, |
199 |
+ |
src/visitors/CompositeVisitor.hpp, src/visitors/OtherVisitor.cpp, |
200 |
+ |
src/visitors/OtherVisitor.hpp, src/visitors/RigidBodyVisitor.cpp, |
201 |
+ |
src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp, |
202 |
+ |
src/visitors/ZconsVisitor.hpp: replace old GebericData with new |
203 |
+ |
GenericData |
204 |
+ |
|
205 |
+ |
2004-10-21 10:25 chuckv |
206 |
+ |
|
207 |
+ |
* src/UseTheForce/DarkSide/: LJ.F90, eam.F90: Added newLJtype to lj |
208 |
+ |
module. |
209 |
+ |
|
210 |
+ |
2004-10-21 10:24 chuckv |
211 |
+ |
|
212 |
+ |
* src/UseTheForce/DarkSide/lj_interface.h: Added interface for |
213 |
+ |
fortran lj module. |
214 |
+ |
|
215 |
+ |
2004-10-20 17:54 tim |
216 |
+ |
|
217 |
+ |
* ChangeLog, src/utils/PropertyMap.cpp, src/utils/PropertyMap.hpp, |
218 |
+ |
test/utils/GenericDataTestCase.cpp, test/utils/Makefile, |
219 |
+ |
test/utils/PropertyMapTestCase.cpp, |
220 |
+ |
test/utils/PropertyMapTestCase.hpp, test/utils/UtilTest: |
221 |
+ |
GenericData and PropertyMap pass unit test. |
222 |
+ |
|
223 |
+ |
2004-10-20 16:52 gezelter |
224 |
+ |
|
225 |
+ |
* src/UseTheForce/: DUFF.cpp, WATER.cpp, DarkSide/sticky.F90, |
226 |
+ |
DarkSide/sticky_interface.h: fixed a fortran name problem |
227 |
+ |
|
228 |
+ |
2004-10-20 16:38 tim |
229 |
+ |
|
230 |
+ |
* test/utils/: GenericData.hpp, GenericDataTestCase.cpp, |
231 |
+ |
GenericDataTestCase.hpp, Makefile, PropertyMapTestCase.hpp, |
232 |
+ |
UtilTest, UtilTest.cpp: adding generic data test case |
233 |
+ |
|
234 |
+ |
2004-10-20 16:16 chuckv |
235 |
+ |
|
236 |
+ |
* configure, ac-tools/aclocal.m4, |
237 |
+ |
src/UseTheForce/DarkSide/Makefile, |
238 |
+ |
src/UseTheForce/DarkSide/mpiSimulation.F90, |
239 |
+ |
src/UseTheForce/DarkSide/mpiSimulation_interface.h, |
240 |
+ |
src/UseTheForce/DarkSide/simParallel.F90, |
241 |
+ |
src/UseTheForce/DarkSide/simParallel_interface.h, |
242 |
+ |
src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp: |
243 |
+ |
Fortran/C++ interface de-obfuscation project appears to be |
244 |
+ |
complete! Woo hoo! |
245 |
+ |
|
246 |
+ |
2004-10-20 15:47 chuckv |
247 |
+ |
|
248 |
+ |
* src/UseTheForce/: fortranWrapDefines.hpp, fortranWrappers.cpp, |
249 |
+ |
fortranWrappers.hpp: Fortran/C++ interface de-obfuscation project |
250 |
+ |
continues |
251 |
+ |
|
252 |
+ |
2004-10-20 15:46 chuckv |
253 |
+ |
|
254 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
255 |
+ |
UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp, |
256 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/Makefile, UseTheForce/WATER.cpp, |
257 |
+ |
UseTheForce/doForces_interface.h, |
258 |
+ |
UseTheForce/notifyCutoffs_interface.h, UseTheForce/wrappers.F90, |
259 |
+ |
UseTheForce/DarkSide/atype_interface.h, |
260 |
+ |
UseTheForce/DarkSide/eam_interface.h, |
261 |
+ |
UseTheForce/DarkSide/gb_interface.h, |
262 |
+ |
UseTheForce/DarkSide/mpiSimulation_interface.h, |
263 |
+ |
UseTheForce/DarkSide/shapes_interface.h, |
264 |
+ |
UseTheForce/DarkSide/simulation_interface.h, |
265 |
+ |
UseTheForce/DarkSide/sticky_interface.h, brains/ForceFields.cpp, |
266 |
+ |
brains/SimInfo.cpp, brains/SimInfo.hpp: Fortran/C++ interface |
267 |
+ |
de-obfuscation project (It is a very long story) |
268 |
+ |
|
269 |
+ |
2004-10-20 13:07 tim |
270 |
+ |
|
271 |
+ |
* ChangeLog, src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp, |
272 |
+ |
test/math/SquareMatrix3TestCase.cpp, |
273 |
+ |
test/math/SquareMatrixTestCase.cpp, |
274 |
+ |
test/math/SquareMatrixTestCase.hpp: Math library pass the unit test |
275 |
+ |
|
276 |
|
2004-10-20 00:52 tim |
277 |
|
|
278 |
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* src/brains/: Snapshot.hpp, SnapshotManager.hpp: Snapshot and |