1 |
+ |
2004-10-25 12:03 tim |
2 |
+ |
|
3 |
+ |
* ChangeLog, src/utils/GenericFactory.hpp, |
4 |
+ |
test/utils/GenericFactoryTestCase.cpp, |
5 |
+ |
test/utils/GenericFactoryTestCase.hpp, test/utils/Makefile: adding |
6 |
+ |
GenericFactory Test Case. GenericFactory now can bed used to creat |
7 |
+ |
ForcefieldFactory and IntegratorFactory etc. |
8 |
+ |
|
9 |
+ |
2004-10-24 23:08 tim |
10 |
+ |
|
11 |
+ |
* src/: brains/SimModel.hpp, brains/SimSnapshotManager.cpp, |
12 |
+ |
brains/SimSnapshotManager.hpp, brains/Snapshot.hpp, |
13 |
+ |
brains/SnapshotManager.hpp, utils/GenericFactory.hpp: more classes |
14 |
+ |
get reconstructed |
15 |
+ |
|
16 |
+ |
2004-10-24 02:55 tim |
17 |
+ |
|
18 |
+ |
* src/utils/GenericFactory.hpp: GenericFactory pass unit test |
19 |
+ |
|
20 |
+ |
2004-10-23 18:09 tim |
21 |
+ |
|
22 |
+ |
* test/brains/: Atom.hpp, DirectionalAtom.hpp, RigidBody.hpp, |
23 |
+ |
StuntDouble.cpp, StuntDouble.hpp, Atom.cpp, DirectioanlAtom.cpp, |
24 |
+ |
RigidBody.cpp: Refactoring in progress |
25 |
+ |
|
26 |
+ |
2004-10-22 18:09 tim |
27 |
+ |
|
28 |
+ |
* ChangeLog, src/brains/Snapshot.hpp, |
29 |
+ |
src/brains/SnapshotManager.hpp, src/math/SquareMatrix.hpp, |
30 |
+ |
test/brains/SnapshotTestCase.cpp, test/brains/SnapshotTestCase.hpp, |
31 |
+ |
test/brains/StuntDouble.hpp: more work in Snapshot |
32 |
+ |
|
33 |
+ |
2004-10-22 17:59 chrisfen |
34 |
+ |
|
35 |
+ |
* src/: UseTheForce/LJFF.cpp, |
36 |
+ |
UseTheForce/DarkSide/atype_interface.h, types/AtomType.cpp: Dear |
37 |
+ |
god! It runs and conserves energy! |
38 |
+ |
|
39 |
+ |
2004-10-22 17:54 chrisfen |
40 |
+ |
|
41 |
+ |
* src/types/: AtomType.cpp, AtomType.hpp: strDUP not strCOPY |
42 |
+ |
|
43 |
+ |
2004-10-22 17:53 chrisfen |
44 |
+ |
|
45 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
46 |
+ |
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 |
+ |
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 |
+ |
* 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 |
+ |
|
71 |
+ |
* 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 |
207 |
+ |
SnapshotManager in design phase |
208 |
+ |
|
209 |
+ |
2004-10-19 23:54 gezelter |
210 |
+ |
|
211 |
+ |
* src/: brains/SimSetup.cpp, utils/StringUtils.cpp: namespace |
212 |
+ |
problem prevented linking |
213 |
+ |
|
214 |
+ |
2004-10-19 23:54 gezelter |
215 |
+ |
|
216 |
+ |
* src/UseTheForce/Shapes_FF.cpp: fixed include |
217 |
+ |
|
218 |
+ |
2004-10-19 23:26 gezelter |
219 |
+ |
|
220 |
+ |
* src/utils/: Makefile, definitions.F90, definitions_module.F90, |
221 |
+ |
oopseMPI.F90, oopseMPI_module.F90, status.F90, status_module.F90: |
222 |
+ |
more fortran name mangling |
223 |
+ |
|
224 |
+ |
2004-10-19 23:23 gezelter |
225 |
+ |
|
226 |
+ |
* src/profiling/timing.F90: yet more fortran renaming |
227 |
+ |
|
228 |
+ |
2004-10-19 23:19 gezelter |
229 |
+ |
|
230 |
+ |
* src/UseTheForce/: Makefile, doForces.F90, doForces_interface.h, |
231 |
+ |
do_Forces.F90, do_Forces.h, notifyCutoffs.F90, |
232 |
+ |
notifyCutoffs_interface.h, notifycutoffs_module_interface.h, |
233 |
+ |
wrappers.F90: Fortran name cleanup continues |
234 |
+ |
|
235 |
+ |
2004-10-19 23:12 gezelter |
236 |
+ |
|
237 |
+ |
* src/UseTheForce/DarkSide/: atype.F90, simulation.F90: fixing some |
238 |
+ |
broken fortran stuff |
239 |
+ |
|
240 |
+ |
2004-10-19 23:02 gezelter |
241 |
+ |
|
242 |
+ |
* src/UseTheForce/DarkSide/: LJ.F90, Makefile, atype.F90, |
243 |
+ |
atype_interface.h, atype_module.F90, atype_module_interface.h, |
244 |
+ |
calc_LJ_FF.F90, calc_charge_charge.F90, calc_dipole_dipole.F90, |
245 |
+ |
calc_eam.F90, calc_gb.F90, calc_reaction_field.F90, |
246 |
+ |
calc_shapes.F90, calc_sticky_pair.F90, charge.F90, dipole.F90, |
247 |
+ |
eam.F90, eam_interface.h, eam_module_inteface.h, gb.F90, |
248 |
+ |
gb_interface.h, gb_module_interface.h, mpiSimulation.F90, |
249 |
+ |
mpiSimulation_interface.h, mpiSimulation_module.F90, |
250 |
+ |
mpisimulation_module_interface.h, reactionField.F90, shapes.F90, |
251 |
+ |
shapes_interface.h, shapes_module.h, simulation.F90, |
252 |
+ |
simulation_interface.h, simulation_module.F90, |
253 |
+ |
simulation_module_interface.h, sticky.F90, sticky_interface.h, |
254 |
+ |
sticky_pair_module_interface.h, switch_module.F90, switcheroo.F90: |
255 |
+ |
name sanity on the fortran side |
256 |
+ |
|
257 |
+ |
2004-10-19 19:18 tim |
258 |
+ |
|
259 |
+ |
* test/math/SquareMatrix3TestCase.hpp: [no log message] |
260 |
+ |
|
261 |
+ |
2004-10-19 18:01 tim |
262 |
+ |
|
263 |
+ |
* src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp, |
264 |
+ |
src/math/SquareMatrix3.hpp, test/math/SquareMatrix3TestCase.cpp: |
265 |
+ |
except diagonalize(), all of functions in math library pass the |
266 |
+ |
test |
267 |
+ |
|
268 |
+ |
2004-10-19 17:43 chuckv |
269 |
+ |
|
270 |
+ |
* src/UseTheForce/do_Forces.h: Added correct prototypes for |
271 |
+ |
C-fortran interface functions. |
272 |
+ |
|
273 |
+ |
2004-10-19 17:37 chuckv |
274 |
+ |
|
275 |
+ |
* src/UseTheForce/DarkSide/: atype_module_interface.h, |
276 |
+ |
eam_module_inteface.h, gb_module_interface.h, |
277 |
+ |
mpisimulation_module_interface.h, simulation_module_interface.h, |
278 |
+ |
sticky_pair_module_interface.h: Added correct prototypes for |
279 |
+ |
C-fortran interface functions. |
280 |
+ |
|
281 |
+ |
2004-10-19 16:28 tim |
282 |
+ |
|
283 |
+ |
* ChangeLog, src/math/Quaternion.hpp, src/math/RectMatrix.hpp, |
284 |
+ |
src/math/SquareMatrix.hpp, src/math/Vector.hpp, |
285 |
+ |
test/math/QuaternionTestCase.cpp, test/math/QuaternionTestCase.hpp, |
286 |
+ |
test/math/RectMatrixTestCase.cpp, |
287 |
+ |
test/math/SquareMatrix3TestCase.cpp, test/math/Vector3TestCase.cpp, |
288 |
+ |
test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp: more |
289 |
+ |
bugs get fixed at math library |
290 |
+ |
|
291 |
+ |
2004-10-19 15:43 chuckv |
292 |
+ |
|
293 |
+ |
* src/UseTheForce/: DarkSide/atype_module_interface.h, |
294 |
+ |
DarkSide/eam_module_inteface.h, DarkSide/gb_module_interface.h, |
295 |
+ |
DarkSide/mpisimulation_module_interface.h, |
296 |
+ |
DarkSide/simulation_module_interface.h, |
297 |
+ |
DarkSide/sticky_pair_module_interface.h, DarkSide/calc_eam.F90, |
298 |
+ |
DarkSide/atype_module.F90, DarkSide/calc_gb.F90, |
299 |
+ |
DarkSide/calc_sticky_pair.F90, DarkSide/mpiSimulation_module.F90, |
300 |
+ |
DarkSide/simulation_module.F90, do_Forces.F90, |
301 |
+ |
fortranWrapDefines.hpp, mpiComponentPlan.h, notifyCutoffs.F90, |
302 |
+ |
notifycutoffs_module_interface.h: Added new files for fortran |
303 |
+ |
interface. |
304 |
+ |
|
305 |
+ |
2004-10-19 15:43 gezelter |
306 |
+ |
|
307 |
+ |
* src/UseTheForce/Makefile: regressing |
308 |
+ |
|
309 |
+ |
2004-10-19 15:40 gezelter |
310 |
+ |
|
311 |
+ |
* src/: UseTheForce/DarkSide/calc_shapes.F90, |
312 |
+ |
UseTheForce/DarkSide/shapes_module.h, utils/StringUtils.cpp: |
313 |
+ |
working on shapes for portability |
314 |
+ |
|
315 |
+ |
2004-10-19 15:40 gezelter |
316 |
+ |
|
317 |
+ |
* src/UseTheForce/: Makefile, Shapes_FF.cpp: working on shapes |
318 |
+ |
|
319 |
+ |
2004-10-19 13:21 chrisfen |
320 |
+ |
|
321 |
+ |
* src/utils/: StringUtils.cpp, StringUtils.hpp: changed around |
322 |
+ |
findBegin |
323 |
+ |
|
324 |
|
2004-10-18 23:34 tim |
325 |
|
|
326 |
|
* src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp: more bugs |
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 |
|
|