1 |
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2004-10-22 09:47 gezelter |
2 |
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|
3 |
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* src/types/AtomType.hpp: Adding AtomType |
4 |
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|
5 |
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2004-10-21 16:31 tim |
6 |
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|
7 |
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* ChangeLog, src/brains/Snapshot.hpp, |
8 |
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src/brains/SnapshotManager.hpp, src/math/RectMatrix.hpp, |
9 |
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src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp, |
10 |
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src/math/Vector.hpp, src/math/Vector3.hpp, |
11 |
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test/math/RectMatrixTestCase.cpp, test/math/VectorTestCase.cpp: |
12 |
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Snapshot and SnapshotManager in progress |
13 |
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|
14 |
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2004-10-21 16:30 tim |
15 |
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|
16 |
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* test/brains/: BrainsTest.cpp, Makefile, |
17 |
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SnapshotManagerTestCase.cpp, SnapshotManagerTestCase.hpp, |
18 |
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SnapshotTestCase.cpp, SnapshotTestCase.hpp: adding test case for |
19 |
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Snapshot and snapshotManager. |
20 |
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|
21 |
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2004-10-21 15:15 gezelter |
22 |
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|
23 |
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* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
24 |
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UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp, |
25 |
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UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp, |
26 |
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UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
27 |
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UseTheForce/doForces_interface.h, UseTheForce/fForceField.h, |
28 |
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UseTheForce/DarkSide/LJ.F90, UseTheForce/DarkSide/lj_interface.h, |
29 |
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brains/SimSetup.cpp, types/AtomTypeProperties.h: Breaky Breaky. |
30 |
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Fixey Fixey. |
31 |
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|
32 |
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2004-10-21 11:32 tim |
33 |
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|
34 |
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* src/utils/GenericData.cpp, src/utils/Makefile, |
35 |
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test/utils/Makefile, test/utils/UtilTest: remove some junk files |
36 |
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|
37 |
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2004-10-21 11:24 tim |
38 |
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|
39 |
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* test/utils/GenericData.hpp: remove backup of GenericData.hpp |
40 |
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|
41 |
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2004-10-21 11:22 tim |
42 |
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|
43 |
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* ChangeLog, src/brains/SimSetup.cpp, |
44 |
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src/constraints/ZConstraint.cpp, src/constraints/ZconsData.hpp, |
45 |
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src/integrators/NPT.cpp, src/integrators/NPTf.cpp, |
46 |
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src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp, |
47 |
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src/integrators/NVT.cpp, src/io/DumpReader.cpp, |
48 |
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src/io/InitializeFromFile.cpp, src/io/ZConsReader.cpp, |
49 |
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src/io/ZConsWriter.hpp, src/primitives/StuntDouble.hpp, |
50 |
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src/utils/GenericData.cpp, src/utils/GenericData.hpp, |
51 |
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src/visitors/AtomData.hpp, src/visitors/AtomVisitor.cpp, |
52 |
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src/visitors/AtomVisitor.hpp, src/visitors/CompositeVisitor.cpp, |
53 |
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src/visitors/CompositeVisitor.hpp, src/visitors/OtherVisitor.cpp, |
54 |
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src/visitors/OtherVisitor.hpp, src/visitors/RigidBodyVisitor.cpp, |
55 |
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src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp, |
56 |
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src/visitors/ZconsVisitor.hpp: replace old GebericData with new |
57 |
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GenericData |
58 |
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|
59 |
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2004-10-21 10:25 chuckv |
60 |
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|
61 |
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* src/UseTheForce/DarkSide/: LJ.F90, eam.F90: Added newLJtype to lj |
62 |
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module. |
63 |
+ |
|
64 |
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2004-10-21 10:24 chuckv |
65 |
+ |
|
66 |
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* src/UseTheForce/DarkSide/lj_interface.h: Added interface for |
67 |
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fortran lj module. |
68 |
+ |
|
69 |
+ |
2004-10-20 17:54 tim |
70 |
+ |
|
71 |
+ |
* ChangeLog, src/utils/PropertyMap.cpp, src/utils/PropertyMap.hpp, |
72 |
+ |
test/utils/GenericDataTestCase.cpp, test/utils/Makefile, |
73 |
+ |
test/utils/PropertyMapTestCase.cpp, |
74 |
+ |
test/utils/PropertyMapTestCase.hpp, test/utils/UtilTest: |
75 |
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GenericData and PropertyMap pass unit test. |
76 |
+ |
|
77 |
+ |
2004-10-20 16:52 gezelter |
78 |
+ |
|
79 |
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* src/UseTheForce/: DUFF.cpp, WATER.cpp, DarkSide/sticky.F90, |
80 |
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DarkSide/sticky_interface.h: fixed a fortran name problem |
81 |
+ |
|
82 |
+ |
2004-10-20 16:38 tim |
83 |
+ |
|
84 |
+ |
* test/utils/: GenericData.hpp, GenericDataTestCase.cpp, |
85 |
+ |
GenericDataTestCase.hpp, Makefile, PropertyMapTestCase.hpp, |
86 |
+ |
UtilTest, UtilTest.cpp: adding generic data test case |
87 |
+ |
|
88 |
+ |
2004-10-20 16:16 chuckv |
89 |
+ |
|
90 |
+ |
* configure, ac-tools/aclocal.m4, |
91 |
+ |
src/UseTheForce/DarkSide/Makefile, |
92 |
+ |
src/UseTheForce/DarkSide/mpiSimulation.F90, |
93 |
+ |
src/UseTheForce/DarkSide/mpiSimulation_interface.h, |
94 |
+ |
src/UseTheForce/DarkSide/simParallel.F90, |
95 |
+ |
src/UseTheForce/DarkSide/simParallel_interface.h, |
96 |
+ |
src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp: |
97 |
+ |
Fortran/C++ interface de-obfuscation project appears to be |
98 |
+ |
complete! Woo hoo! |
99 |
+ |
|
100 |
+ |
2004-10-20 15:47 chuckv |
101 |
+ |
|
102 |
+ |
* src/UseTheForce/: fortranWrapDefines.hpp, fortranWrappers.cpp, |
103 |
+ |
fortranWrappers.hpp: Fortran/C++ interface de-obfuscation project |
104 |
+ |
continues |
105 |
+ |
|
106 |
+ |
2004-10-20 15:46 chuckv |
107 |
+ |
|
108 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
109 |
+ |
UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp, |
110 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/Makefile, UseTheForce/WATER.cpp, |
111 |
+ |
UseTheForce/doForces_interface.h, |
112 |
+ |
UseTheForce/notifyCutoffs_interface.h, UseTheForce/wrappers.F90, |
113 |
+ |
UseTheForce/DarkSide/atype_interface.h, |
114 |
+ |
UseTheForce/DarkSide/eam_interface.h, |
115 |
+ |
UseTheForce/DarkSide/gb_interface.h, |
116 |
+ |
UseTheForce/DarkSide/mpiSimulation_interface.h, |
117 |
+ |
UseTheForce/DarkSide/shapes_interface.h, |
118 |
+ |
UseTheForce/DarkSide/simulation_interface.h, |
119 |
+ |
UseTheForce/DarkSide/sticky_interface.h, brains/ForceFields.cpp, |
120 |
+ |
brains/SimInfo.cpp, brains/SimInfo.hpp: Fortran/C++ interface |
121 |
+ |
de-obfuscation project (It is a very long story) |
122 |
+ |
|
123 |
+ |
2004-10-20 13:07 tim |
124 |
+ |
|
125 |
+ |
* ChangeLog, src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp, |
126 |
+ |
test/math/SquareMatrix3TestCase.cpp, |
127 |
+ |
test/math/SquareMatrixTestCase.cpp, |
128 |
+ |
test/math/SquareMatrixTestCase.hpp: Math library pass the unit test |
129 |
+ |
|
130 |
+ |
2004-10-20 00:52 tim |
131 |
+ |
|
132 |
+ |
* src/brains/: Snapshot.hpp, SnapshotManager.hpp: Snapshot and |
133 |
+ |
SnapshotManager in design phase |
134 |
+ |
|
135 |
+ |
2004-10-19 23:54 gezelter |
136 |
+ |
|
137 |
+ |
* src/: brains/SimSetup.cpp, utils/StringUtils.cpp: namespace |
138 |
+ |
problem prevented linking |
139 |
+ |
|
140 |
+ |
2004-10-19 23:54 gezelter |
141 |
+ |
|
142 |
+ |
* src/UseTheForce/Shapes_FF.cpp: fixed include |
143 |
+ |
|
144 |
+ |
2004-10-19 23:26 gezelter |
145 |
+ |
|
146 |
+ |
* src/utils/: Makefile, definitions.F90, definitions_module.F90, |
147 |
+ |
oopseMPI.F90, oopseMPI_module.F90, status.F90, status_module.F90: |
148 |
+ |
more fortran name mangling |
149 |
+ |
|
150 |
+ |
2004-10-19 23:23 gezelter |
151 |
+ |
|
152 |
+ |
* src/profiling/timing.F90: yet more fortran renaming |
153 |
+ |
|
154 |
+ |
2004-10-19 23:19 gezelter |
155 |
+ |
|
156 |
+ |
* src/UseTheForce/: Makefile, doForces.F90, doForces_interface.h, |
157 |
+ |
do_Forces.F90, do_Forces.h, notifyCutoffs.F90, |
158 |
+ |
notifyCutoffs_interface.h, notifycutoffs_module_interface.h, |
159 |
+ |
wrappers.F90: Fortran name cleanup continues |
160 |
+ |
|
161 |
+ |
2004-10-19 23:12 gezelter |
162 |
+ |
|
163 |
+ |
* src/UseTheForce/DarkSide/: atype.F90, simulation.F90: fixing some |
164 |
+ |
broken fortran stuff |
165 |
+ |
|
166 |
+ |
2004-10-19 23:02 gezelter |
167 |
+ |
|
168 |
+ |
* src/UseTheForce/DarkSide/: LJ.F90, Makefile, atype.F90, |
169 |
+ |
atype_interface.h, atype_module.F90, atype_module_interface.h, |
170 |
+ |
calc_LJ_FF.F90, calc_charge_charge.F90, calc_dipole_dipole.F90, |
171 |
+ |
calc_eam.F90, calc_gb.F90, calc_reaction_field.F90, |
172 |
+ |
calc_shapes.F90, calc_sticky_pair.F90, charge.F90, dipole.F90, |
173 |
+ |
eam.F90, eam_interface.h, eam_module_inteface.h, gb.F90, |
174 |
+ |
gb_interface.h, gb_module_interface.h, mpiSimulation.F90, |
175 |
+ |
mpiSimulation_interface.h, mpiSimulation_module.F90, |
176 |
+ |
mpisimulation_module_interface.h, reactionField.F90, shapes.F90, |
177 |
+ |
shapes_interface.h, shapes_module.h, simulation.F90, |
178 |
+ |
simulation_interface.h, simulation_module.F90, |
179 |
+ |
simulation_module_interface.h, sticky.F90, sticky_interface.h, |
180 |
+ |
sticky_pair_module_interface.h, switch_module.F90, switcheroo.F90: |
181 |
+ |
name sanity on the fortran side |
182 |
+ |
|
183 |
+ |
2004-10-19 19:18 tim |
184 |
+ |
|
185 |
+ |
* test/math/SquareMatrix3TestCase.hpp: [no log message] |
186 |
+ |
|
187 |
+ |
2004-10-19 18:01 tim |
188 |
+ |
|
189 |
+ |
* src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp, |
190 |
+ |
src/math/SquareMatrix3.hpp, test/math/SquareMatrix3TestCase.cpp: |
191 |
+ |
except diagonalize(), all of functions in math library pass the |
192 |
+ |
test |
193 |
+ |
|
194 |
+ |
2004-10-19 17:43 chuckv |
195 |
+ |
|
196 |
+ |
* src/UseTheForce/do_Forces.h: Added correct prototypes for |
197 |
+ |
C-fortran interface functions. |
198 |
+ |
|
199 |
+ |
2004-10-19 17:37 chuckv |
200 |
+ |
|
201 |
+ |
* src/UseTheForce/DarkSide/: atype_module_interface.h, |
202 |
+ |
eam_module_inteface.h, gb_module_interface.h, |
203 |
+ |
mpisimulation_module_interface.h, simulation_module_interface.h, |
204 |
+ |
sticky_pair_module_interface.h: Added correct prototypes for |
205 |
+ |
C-fortran interface functions. |
206 |
+ |
|
207 |
+ |
2004-10-19 16:28 tim |
208 |
+ |
|
209 |
+ |
* ChangeLog, src/math/Quaternion.hpp, src/math/RectMatrix.hpp, |
210 |
+ |
src/math/SquareMatrix.hpp, src/math/Vector.hpp, |
211 |
+ |
test/math/QuaternionTestCase.cpp, test/math/QuaternionTestCase.hpp, |
212 |
+ |
test/math/RectMatrixTestCase.cpp, |
213 |
+ |
test/math/SquareMatrix3TestCase.cpp, test/math/Vector3TestCase.cpp, |
214 |
+ |
test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp: more |
215 |
+ |
bugs get fixed at math library |
216 |
+ |
|
217 |
+ |
2004-10-19 15:43 chuckv |
218 |
+ |
|
219 |
+ |
* src/UseTheForce/: DarkSide/atype_module_interface.h, |
220 |
+ |
DarkSide/eam_module_inteface.h, DarkSide/gb_module_interface.h, |
221 |
+ |
DarkSide/mpisimulation_module_interface.h, |
222 |
+ |
DarkSide/simulation_module_interface.h, |
223 |
+ |
DarkSide/sticky_pair_module_interface.h, DarkSide/calc_eam.F90, |
224 |
+ |
DarkSide/atype_module.F90, DarkSide/calc_gb.F90, |
225 |
+ |
DarkSide/calc_sticky_pair.F90, DarkSide/mpiSimulation_module.F90, |
226 |
+ |
DarkSide/simulation_module.F90, do_Forces.F90, |
227 |
+ |
fortranWrapDefines.hpp, mpiComponentPlan.h, notifyCutoffs.F90, |
228 |
+ |
notifycutoffs_module_interface.h: Added new files for fortran |
229 |
+ |
interface. |
230 |
+ |
|
231 |
+ |
2004-10-19 15:43 gezelter |
232 |
+ |
|
233 |
+ |
* src/UseTheForce/Makefile: regressing |
234 |
+ |
|
235 |
+ |
2004-10-19 15:40 gezelter |
236 |
+ |
|
237 |
+ |
* src/: UseTheForce/DarkSide/calc_shapes.F90, |
238 |
+ |
UseTheForce/DarkSide/shapes_module.h, utils/StringUtils.cpp: |
239 |
+ |
working on shapes for portability |
240 |
+ |
|
241 |
+ |
2004-10-19 15:40 gezelter |
242 |
+ |
|
243 |
+ |
* src/UseTheForce/: Makefile, Shapes_FF.cpp: working on shapes |
244 |
+ |
|
245 |
+ |
2004-10-19 13:21 chrisfen |
246 |
+ |
|
247 |
+ |
* src/utils/: StringUtils.cpp, StringUtils.hpp: changed around |
248 |
+ |
findBegin |
249 |
+ |
|
250 |
|
2004-10-18 23:34 tim |
251 |
|
|
252 |
|
* src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp: more bugs |