1 |
+ |
2004-10-28 14:06 tim |
2 |
+ |
|
3 |
+ |
* ChangeLog, src/applications/simpleBuilder/MoLocator.hpp, |
4 |
+ |
src/applications/simpleBuilder/simpleBuilder.cpp, |
5 |
+ |
src/utils/next_combination.hpp, test/utils/Makefile, |
6 |
+ |
test/utils/NextCombinationTestCase.cpp, |
7 |
+ |
test/utils/ReplaceWildCardTestCase.cpp, |
8 |
+ |
test/utils/next_combination.hpp: STL next_permutation like |
9 |
+ |
next_combination is working |
10 |
+ |
|
11 |
+ |
2004-10-28 12:22 chrisfen |
12 |
+ |
|
13 |
+ |
* src/UseTheForce/WATER.cpp: fix of setDipoles |
14 |
+ |
|
15 |
+ |
2004-10-28 12:20 gezelter |
16 |
+ |
|
17 |
+ |
* src/UseTheForce/Shapes_FF.cpp: forgot to advance lines in the |
18 |
+ |
shapeFile |
19 |
+ |
|
20 |
+ |
2004-10-28 12:20 gezelter |
21 |
+ |
|
22 |
+ |
* samples/shape/linear.md: forgot the orientation line |
23 |
+ |
|
24 |
+ |
2004-10-28 11:56 gezelter |
25 |
+ |
|
26 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
27 |
+ |
UseTheForce/ForceFields.hpp, UseTheForce/LJFF.cpp, |
28 |
+ |
UseTheForce/WATER.cpp, types/AtomType.cpp: fixed duplicate |
29 |
+ |
declaration foo |
30 |
+ |
|
31 |
+ |
2004-10-28 11:55 gezelter |
32 |
+ |
|
33 |
+ |
* samples/lipid/5x5.md: uncommented .in line |
34 |
+ |
|
35 |
+ |
2004-10-28 10:42 tim |
36 |
+ |
|
37 |
+ |
* test/utils/: Makefile, NextCombinationTestCase.cpp, |
38 |
+ |
NextCombinationTestCase.hpp, next_combination.hpp: next_combination |
39 |
+ |
in progress |
40 |
+ |
|
41 |
+ |
2004-10-28 10:15 tim |
42 |
+ |
|
43 |
+ |
* test/utils/: NextCombinationTestCase.cpp, |
44 |
+ |
NextCombinationTestCase.hpp: adding next_combination test case |
45 |
+ |
|
46 |
+ |
2004-10-28 10:02 tim |
47 |
+ |
|
48 |
+ |
* test/utils/next_combination.hpp: STL Compatible combination |
49 |
+ |
sequence generator |
50 |
+ |
|
51 |
+ |
2004-10-28 01:23 tim |
52 |
+ |
|
53 |
+ |
* test/utils/: GenerateCombination.hpp, |
54 |
+ |
ReplaceWildCardTestCase.cpp: bug fixed in GenerateCombination.hpp |
55 |
+ |
|
56 |
+ |
2004-10-28 01:16 tim |
57 |
+ |
|
58 |
+ |
* test/utils/GenerateCombination.hpp: a STL next_permutaion like |
59 |
+ |
next_combination function. |
60 |
+ |
|
61 |
+ |
2004-10-27 22:27 tim |
62 |
+ |
|
63 |
+ |
* test/utils/ReplaceWildCard.hpp: no message |
64 |
+ |
|
65 |
+ |
2004-10-27 22:14 tim |
66 |
+ |
|
67 |
+ |
* test/utils/: ReplaceWildCard.hpp, ReplaceWildCardTestCase.cpp: |
68 |
+ |
ReplaceWildCard(recursive version) is working, need refactoring. An |
69 |
+ |
iterative version is on the way |
70 |
+ |
|
71 |
+ |
2004-10-27 21:28 tim |
72 |
+ |
|
73 |
+ |
* test/utils/: Makefile, ReplaceWildCard.hpp, |
74 |
+ |
ReplaceWildCardTestCase.cpp: ReplaceWildCard in progress |
75 |
+ |
|
76 |
+ |
2004-10-27 21:08 tim |
77 |
+ |
|
78 |
+ |
* test/utils/: ReplaceWildCardTestCase.cpp, |
79 |
+ |
ReplaceWildCardTestCase.hpp: Adding Test Case for ReplaceWildCard |
80 |
+ |
|
81 |
+ |
2004-10-27 18:17 tim |
82 |
+ |
|
83 |
+ |
* test/utils/ReplaceWildCard.hpp: adding ReplaceWildCard.hpp, need |
84 |
+ |
test |
85 |
+ |
|
86 |
+ |
2004-10-27 01:25 tim |
87 |
+ |
|
88 |
+ |
* src/utils/TupleMatcher.hpp: Adding Generic TupleMatcher, wild |
89 |
+ |
char matching is on the way |
90 |
+ |
|
91 |
+ |
2004-10-27 01:07 tim |
92 |
+ |
|
93 |
+ |
* src/utils/Tuple.hpp: Adding Generic Tuple3 and Tuple4 |
94 |
+ |
|
95 |
+ |
2004-10-26 22:00 gezelter |
96 |
+ |
|
97 |
+ |
* src/UseTheForce/: EAM_FF.cpp, ForceFields.hpp: bug fix |
98 |
+ |
|
99 |
+ |
2004-10-26 21:20 gezelter |
100 |
+ |
|
101 |
+ |
* src/UseTheForce/ForceFields.hpp: subclass foo |
102 |
+ |
|
103 |
+ |
2004-10-26 21:16 gezelter |
104 |
+ |
|
105 |
+ |
* src/UseTheForce/: EAM_FF.cpp, LJFF.cpp, WATER.cpp: more char* -> |
106 |
+ |
string conversion |
107 |
+ |
|
108 |
+ |
2004-10-26 19:01 gezelter |
109 |
+ |
|
110 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
111 |
+ |
UseTheForce/ForceFields.hpp, brains/SimSetup.cpp, |
112 |
+ |
brains/SimSetup.hpp: char* -> string |
113 |
+ |
|
114 |
+ |
2004-10-26 17:25 gezelter |
115 |
+ |
|
116 |
+ |
* src/types/: AtomType.cpp, AtomType.hpp, DirectionalAtomType.hpp, |
117 |
+ |
Makefile, ShapeAtomType.cpp, ShapeAtomType.hpp, ShapeType.cpp, |
118 |
+ |
ShapeType.hpp: Making ShapeType into a ShapeAtomType, fixing some |
119 |
+ |
isXXX |
120 |
+ |
|
121 |
+ |
2004-10-26 17:25 gezelter |
122 |
+ |
|
123 |
+ |
* src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp: |
124 |
+ |
define name collision |
125 |
+ |
|
126 |
+ |
2004-10-26 17:24 gezelter |
127 |
+ |
|
128 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
129 |
+ |
UseTheForce/ForceFields.hpp, UseTheForce/LJFF.cpp, |
130 |
+ |
UseTheForce/Makefile, UseTheForce/Shapes_FF.cpp, |
131 |
+ |
UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
132 |
+ |
UseTheForce/DarkSide/shapes_interface.h, brains/SimSetup.cpp: |
133 |
+ |
forcefield refactoring for shapes |
134 |
+ |
|
135 |
+ |
2004-10-26 17:24 gezelter |
136 |
+ |
|
137 |
+ |
* samples/shape/: 5CB.shape, 8CB.shape, C60.shape, C70.shape, |
138 |
+ |
Shapes.frc, cholesterol.shape, ethylBenzene.shape, linear.in, |
139 |
+ |
linear.md, linear.shape, toluene.shape: adding sample shape |
140 |
+ |
directory |
141 |
+ |
|
142 |
+ |
2004-10-26 17:19 tim |
143 |
+ |
|
144 |
+ |
* ChangeLog, src/brains/DataStorage.cpp, |
145 |
+ |
src/brains/DataStorage.hpp, src/brains/Snapshot.hpp, |
146 |
+ |
test/brains/DataStorageTestCase.cpp, |
147 |
+ |
test/brains/DataStorageTestCase.hpp, test/brains/Makefile: |
148 |
+ |
DataStorage passes unit test |
149 |
+ |
|
150 |
+ |
2004-10-26 13:03 chrisfen |
151 |
+ |
|
152 |
+ |
* src/UseTheForce/DarkSide/: shapes.F90, shapes_interface.h: |
153 |
+ |
Changes to help advance shapes |
154 |
+ |
|
155 |
+ |
2004-10-26 13:02 chrisfen |
156 |
+ |
|
157 |
+ |
* src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp: Changes to |
158 |
+ |
Shapes force field reader |
159 |
+ |
|
160 |
+ |
2004-10-26 12:28 tim |
161 |
+ |
|
162 |
+ |
* src/brains/Snapshot.hpp, test/brains/RigidBody.hpp: Snaphot and |
163 |
+ |
SnapshotTestCase in progress |
164 |
+ |
|
165 |
+ |
2004-10-25 17:46 tim |
166 |
+ |
|
167 |
+ |
* ChangeLog, src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp, |
168 |
+ |
src/math/SquareMatrix3.hpp, src/math/Vector.hpp, |
169 |
+ |
src/math/Vector3.hpp, test/brains/StuntDouble.hpp, |
170 |
+ |
test/math/RectMatrixTestCase.cpp, test/math/Vector3TestCase.cpp, |
171 |
+ |
test/math/VectorTestCase.cpp: add getArray function to RectMatrix |
172 |
+ |
and Vector classes |
173 |
+ |
|
174 |
+ |
2004-10-25 12:03 tim |
175 |
+ |
|
176 |
+ |
* ChangeLog, src/utils/GenericFactory.hpp, |
177 |
+ |
test/utils/GenericFactoryTestCase.cpp, |
178 |
+ |
test/utils/GenericFactoryTestCase.hpp, test/utils/Makefile: adding |
179 |
+ |
GenericFactory Test Case. GenericFactory now can bed used to creat |
180 |
+ |
ForcefieldFactory and IntegratorFactory etc. |
181 |
+ |
|
182 |
+ |
2004-10-24 23:08 tim |
183 |
+ |
|
184 |
+ |
* src/: brains/SimModel.hpp, brains/SimSnapshotManager.cpp, |
185 |
+ |
brains/SimSnapshotManager.hpp, brains/Snapshot.hpp, |
186 |
+ |
brains/SnapshotManager.hpp, utils/GenericFactory.hpp: more classes |
187 |
+ |
get reconstructed |
188 |
+ |
|
189 |
+ |
2004-10-24 02:55 tim |
190 |
+ |
|
191 |
+ |
* src/utils/GenericFactory.hpp: GenericFactory pass unit test |
192 |
+ |
|
193 |
+ |
2004-10-23 18:09 tim |
194 |
+ |
|
195 |
+ |
* test/brains/: Atom.hpp, DirectionalAtom.hpp, RigidBody.hpp, |
196 |
+ |
StuntDouble.cpp, StuntDouble.hpp, Atom.cpp, DirectioanlAtom.cpp, |
197 |
+ |
RigidBody.cpp: Refactoring in progress |
198 |
+ |
|
199 |
+ |
2004-10-22 18:09 tim |
200 |
+ |
|
201 |
+ |
* ChangeLog, src/brains/Snapshot.hpp, |
202 |
+ |
src/brains/SnapshotManager.hpp, src/math/SquareMatrix.hpp, |
203 |
+ |
test/brains/SnapshotTestCase.cpp, test/brains/SnapshotTestCase.hpp, |
204 |
+ |
test/brains/StuntDouble.hpp: more work in Snapshot |
205 |
+ |
|
206 |
+ |
2004-10-22 17:59 chrisfen |
207 |
+ |
|
208 |
+ |
* src/: UseTheForce/LJFF.cpp, |
209 |
+ |
UseTheForce/DarkSide/atype_interface.h, types/AtomType.cpp: Dear |
210 |
+ |
god! It runs and conserves energy! |
211 |
+ |
|
212 |
+ |
2004-10-22 17:54 chrisfen |
213 |
+ |
|
214 |
+ |
* src/types/: AtomType.cpp, AtomType.hpp: strDUP not strCOPY |
215 |
+ |
|
216 |
+ |
2004-10-22 17:53 chrisfen |
217 |
+ |
|
218 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
219 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp, |
220 |
+ |
UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
221 |
+ |
brains/SimInfo.cpp, brains/SimInfo.hpp: fixey fixey the breakey |
222 |
+ |
breakey |
223 |
+ |
|
224 |
+ |
2004-10-22 17:53 chrisfen |
225 |
+ |
|
226 |
+ |
* make/Makefile.in: compiler flags |
227 |
+ |
|
228 |
+ |
2004-10-22 16:20 gezelter |
229 |
+ |
|
230 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
231 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/doForces.F90, |
232 |
+ |
brains/fSimulation.h, types/AtomType.hpp, |
233 |
+ |
types/DirectionalAtomType.hpp: fixey fixey |
234 |
+ |
|
235 |
+ |
2004-10-22 15:22 gezelter |
236 |
+ |
|
237 |
+ |
* src/UseTheForce/DarkSide/: LJ.F90, atype.F90, atype_interface.h, |
238 |
+ |
charge.F90, charge_interface.h, dipole.F90, dipole_interface.h, |
239 |
+ |
lj_interface.h, shapes.F90, simulation.F90: Added un-busticated |
240 |
+ |
fortran files and c/Fortran interfaces |
241 |
+ |
|
242 |
+ |
2004-10-22 15:21 gezelter |
243 |
+ |
|
244 |
+ |
* src/types/: AtomType.cpp, AtomType.hpp, AtomTypeProperties.h, |
245 |
+ |
DirectionalAtomType.hpp, Makefile: More on AtomType and |
246 |
+ |
DirectionalAtomType |
247 |
+ |
|
248 |
+ |
2004-10-22 09:47 gezelter |
249 |
+ |
|
250 |
+ |
* src/types/AtomType.hpp: Adding AtomType |
251 |
+ |
|
252 |
+ |
2004-10-21 16:31 tim |
253 |
+ |
|
254 |
+ |
* ChangeLog, src/brains/Snapshot.hpp, |
255 |
+ |
src/brains/SnapshotManager.hpp, src/math/RectMatrix.hpp, |
256 |
+ |
src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp, |
257 |
+ |
src/math/Vector.hpp, src/math/Vector3.hpp, |
258 |
+ |
test/math/RectMatrixTestCase.cpp, test/math/VectorTestCase.cpp: |
259 |
+ |
Snapshot and SnapshotManager in progress |
260 |
+ |
|
261 |
+ |
2004-10-21 16:30 tim |
262 |
+ |
|
263 |
+ |
* test/brains/: BrainsTest.cpp, Makefile, |
264 |
+ |
SnapshotManagerTestCase.cpp, SnapshotManagerTestCase.hpp, |
265 |
+ |
SnapshotTestCase.cpp, SnapshotTestCase.hpp: adding test case for |
266 |
+ |
Snapshot and snapshotManager. |
267 |
+ |
|
268 |
+ |
2004-10-21 15:15 gezelter |
269 |
+ |
|
270 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
271 |
+ |
UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp, |
272 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp, |
273 |
+ |
UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
274 |
+ |
UseTheForce/doForces_interface.h, UseTheForce/fForceField.h, |
275 |
+ |
UseTheForce/DarkSide/LJ.F90, UseTheForce/DarkSide/lj_interface.h, |
276 |
+ |
brains/SimSetup.cpp, types/AtomTypeProperties.h: Breaky Breaky. |
277 |
+ |
Fixey Fixey. |
278 |
+ |
|
279 |
+ |
2004-10-21 11:32 tim |
280 |
+ |
|
281 |
+ |
* src/utils/GenericData.cpp, src/utils/Makefile, |
282 |
+ |
test/utils/Makefile, test/utils/UtilTest: remove some junk files |
283 |
+ |
|
284 |
+ |
2004-10-21 11:24 tim |
285 |
+ |
|
286 |
+ |
* test/utils/GenericData.hpp: remove backup of GenericData.hpp |
287 |
+ |
|
288 |
+ |
2004-10-21 11:22 tim |
289 |
+ |
|
290 |
+ |
* ChangeLog, src/brains/SimSetup.cpp, |
291 |
+ |
src/constraints/ZConstraint.cpp, src/constraints/ZconsData.hpp, |
292 |
+ |
src/integrators/NPT.cpp, src/integrators/NPTf.cpp, |
293 |
+ |
src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp, |
294 |
+ |
src/integrators/NVT.cpp, src/io/DumpReader.cpp, |
295 |
+ |
src/io/InitializeFromFile.cpp, src/io/ZConsReader.cpp, |
296 |
+ |
src/io/ZConsWriter.hpp, src/primitives/StuntDouble.hpp, |
297 |
+ |
src/utils/GenericData.cpp, src/utils/GenericData.hpp, |
298 |
+ |
src/visitors/AtomData.hpp, src/visitors/AtomVisitor.cpp, |
299 |
+ |
src/visitors/AtomVisitor.hpp, src/visitors/CompositeVisitor.cpp, |
300 |
+ |
src/visitors/CompositeVisitor.hpp, src/visitors/OtherVisitor.cpp, |
301 |
+ |
src/visitors/OtherVisitor.hpp, src/visitors/RigidBodyVisitor.cpp, |
302 |
+ |
src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp, |
303 |
+ |
src/visitors/ZconsVisitor.hpp: replace old GebericData with new |
304 |
+ |
GenericData |
305 |
+ |
|
306 |
+ |
2004-10-21 10:25 chuckv |
307 |
+ |
|
308 |
+ |
* src/UseTheForce/DarkSide/: LJ.F90, eam.F90: Added newLJtype to lj |
309 |
+ |
module. |
310 |
+ |
|
311 |
+ |
2004-10-21 10:24 chuckv |
312 |
+ |
|
313 |
+ |
* src/UseTheForce/DarkSide/lj_interface.h: Added interface for |
314 |
+ |
fortran lj module. |
315 |
+ |
|
316 |
+ |
2004-10-20 17:54 tim |
317 |
+ |
|
318 |
+ |
* ChangeLog, src/utils/PropertyMap.cpp, src/utils/PropertyMap.hpp, |
319 |
+ |
test/utils/GenericDataTestCase.cpp, test/utils/Makefile, |
320 |
+ |
test/utils/PropertyMapTestCase.cpp, |
321 |
+ |
test/utils/PropertyMapTestCase.hpp, test/utils/UtilTest: |
322 |
+ |
GenericData and PropertyMap pass unit test. |
323 |
+ |
|
324 |
+ |
2004-10-20 16:52 gezelter |
325 |
+ |
|
326 |
+ |
* src/UseTheForce/: DUFF.cpp, WATER.cpp, DarkSide/sticky.F90, |
327 |
+ |
DarkSide/sticky_interface.h: fixed a fortran name problem |
328 |
+ |
|
329 |
+ |
2004-10-20 16:38 tim |
330 |
+ |
|
331 |
+ |
* test/utils/: GenericData.hpp, GenericDataTestCase.cpp, |
332 |
+ |
GenericDataTestCase.hpp, Makefile, PropertyMapTestCase.hpp, |
333 |
+ |
UtilTest, UtilTest.cpp: adding generic data test case |
334 |
+ |
|
335 |
+ |
2004-10-20 16:16 chuckv |
336 |
+ |
|
337 |
+ |
* configure, ac-tools/aclocal.m4, |
338 |
+ |
src/UseTheForce/DarkSide/Makefile, |
339 |
+ |
src/UseTheForce/DarkSide/mpiSimulation.F90, |
340 |
+ |
src/UseTheForce/DarkSide/mpiSimulation_interface.h, |
341 |
+ |
src/UseTheForce/DarkSide/simParallel.F90, |
342 |
+ |
src/UseTheForce/DarkSide/simParallel_interface.h, |
343 |
+ |
src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp: |
344 |
+ |
Fortran/C++ interface de-obfuscation project appears to be |
345 |
+ |
complete! Woo hoo! |
346 |
+ |
|
347 |
+ |
2004-10-20 15:47 chuckv |
348 |
+ |
|
349 |
+ |
* src/UseTheForce/: fortranWrapDefines.hpp, fortranWrappers.cpp, |
350 |
+ |
fortranWrappers.hpp: Fortran/C++ interface de-obfuscation project |
351 |
+ |
continues |
352 |
+ |
|
353 |
+ |
2004-10-20 15:46 chuckv |
354 |
+ |
|
355 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
356 |
+ |
UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp, |
357 |
+ |
UseTheForce/LJFF.cpp, UseTheForce/Makefile, UseTheForce/WATER.cpp, |
358 |
+ |
UseTheForce/doForces_interface.h, |
359 |
+ |
UseTheForce/notifyCutoffs_interface.h, UseTheForce/wrappers.F90, |
360 |
+ |
UseTheForce/DarkSide/atype_interface.h, |
361 |
+ |
UseTheForce/DarkSide/eam_interface.h, |
362 |
+ |
UseTheForce/DarkSide/gb_interface.h, |
363 |
+ |
UseTheForce/DarkSide/mpiSimulation_interface.h, |
364 |
+ |
UseTheForce/DarkSide/shapes_interface.h, |
365 |
+ |
UseTheForce/DarkSide/simulation_interface.h, |
366 |
+ |
UseTheForce/DarkSide/sticky_interface.h, brains/ForceFields.cpp, |
367 |
+ |
brains/SimInfo.cpp, brains/SimInfo.hpp: Fortran/C++ interface |
368 |
+ |
de-obfuscation project (It is a very long story) |
369 |
+ |
|
370 |
+ |
2004-10-20 13:07 tim |
371 |
+ |
|
372 |
+ |
* ChangeLog, src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp, |
373 |
+ |
test/math/SquareMatrix3TestCase.cpp, |
374 |
+ |
test/math/SquareMatrixTestCase.cpp, |
375 |
+ |
test/math/SquareMatrixTestCase.hpp: Math library pass the unit test |
376 |
+ |
|
377 |
+ |
2004-10-20 00:52 tim |
378 |
+ |
|
379 |
+ |
* src/brains/: Snapshot.hpp, SnapshotManager.hpp: Snapshot and |
380 |
+ |
SnapshotManager in design phase |
381 |
+ |
|
382 |
+ |
2004-10-19 23:54 gezelter |
383 |
+ |
|
384 |
+ |
* src/: brains/SimSetup.cpp, utils/StringUtils.cpp: namespace |
385 |
+ |
problem prevented linking |
386 |
+ |
|
387 |
+ |
2004-10-19 23:54 gezelter |
388 |
+ |
|
389 |
+ |
* src/UseTheForce/Shapes_FF.cpp: fixed include |
390 |
+ |
|
391 |
+ |
2004-10-19 23:26 gezelter |
392 |
+ |
|
393 |
+ |
* src/utils/: Makefile, definitions.F90, definitions_module.F90, |
394 |
+ |
oopseMPI.F90, oopseMPI_module.F90, status.F90, status_module.F90: |
395 |
+ |
more fortran name mangling |
396 |
+ |
|
397 |
+ |
2004-10-19 23:23 gezelter |
398 |
+ |
|
399 |
+ |
* src/profiling/timing.F90: yet more fortran renaming |
400 |
+ |
|
401 |
+ |
2004-10-19 23:19 gezelter |
402 |
+ |
|
403 |
+ |
* src/UseTheForce/: Makefile, doForces.F90, doForces_interface.h, |
404 |
+ |
do_Forces.F90, do_Forces.h, notifyCutoffs.F90, |
405 |
+ |
notifyCutoffs_interface.h, notifycutoffs_module_interface.h, |
406 |
+ |
wrappers.F90: Fortran name cleanup continues |
407 |
+ |
|
408 |
+ |
2004-10-19 23:12 gezelter |
409 |
+ |
|
410 |
+ |
* src/UseTheForce/DarkSide/: atype.F90, simulation.F90: fixing some |
411 |
+ |
broken fortran stuff |
412 |
+ |
|
413 |
+ |
2004-10-19 23:02 gezelter |
414 |
+ |
|
415 |
+ |
* src/UseTheForce/DarkSide/: LJ.F90, Makefile, atype.F90, |
416 |
+ |
atype_interface.h, atype_module.F90, atype_module_interface.h, |
417 |
+ |
calc_LJ_FF.F90, calc_charge_charge.F90, calc_dipole_dipole.F90, |
418 |
+ |
calc_eam.F90, calc_gb.F90, calc_reaction_field.F90, |
419 |
+ |
calc_shapes.F90, calc_sticky_pair.F90, charge.F90, dipole.F90, |
420 |
+ |
eam.F90, eam_interface.h, eam_module_inteface.h, gb.F90, |
421 |
+ |
gb_interface.h, gb_module_interface.h, mpiSimulation.F90, |
422 |
+ |
mpiSimulation_interface.h, mpiSimulation_module.F90, |
423 |
+ |
mpisimulation_module_interface.h, reactionField.F90, shapes.F90, |
424 |
+ |
shapes_interface.h, shapes_module.h, simulation.F90, |
425 |
+ |
simulation_interface.h, simulation_module.F90, |
426 |
+ |
simulation_module_interface.h, sticky.F90, sticky_interface.h, |
427 |
+ |
sticky_pair_module_interface.h, switch_module.F90, switcheroo.F90: |
428 |
+ |
name sanity on the fortran side |
429 |
+ |
|
430 |
+ |
2004-10-19 19:18 tim |
431 |
+ |
|
432 |
+ |
* test/math/SquareMatrix3TestCase.hpp: [no log message] |
433 |
+ |
|
434 |
+ |
2004-10-19 18:01 tim |
435 |
+ |
|
436 |
+ |
* src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp, |
437 |
+ |
src/math/SquareMatrix3.hpp, test/math/SquareMatrix3TestCase.cpp: |
438 |
+ |
except diagonalize(), all of functions in math library pass the |
439 |
+ |
test |
440 |
+ |
|
441 |
+ |
2004-10-19 17:43 chuckv |
442 |
+ |
|
443 |
+ |
* src/UseTheForce/do_Forces.h: Added correct prototypes for |
444 |
+ |
C-fortran interface functions. |
445 |
+ |
|
446 |
+ |
2004-10-19 17:37 chuckv |
447 |
+ |
|
448 |
+ |
* src/UseTheForce/DarkSide/: atype_module_interface.h, |
449 |
+ |
eam_module_inteface.h, gb_module_interface.h, |
450 |
+ |
mpisimulation_module_interface.h, simulation_module_interface.h, |
451 |
+ |
sticky_pair_module_interface.h: Added correct prototypes for |
452 |
+ |
C-fortran interface functions. |
453 |
+ |
|
454 |
+ |
2004-10-19 16:28 tim |
455 |
+ |
|
456 |
+ |
* ChangeLog, src/math/Quaternion.hpp, src/math/RectMatrix.hpp, |
457 |
+ |
src/math/SquareMatrix.hpp, src/math/Vector.hpp, |
458 |
+ |
test/math/QuaternionTestCase.cpp, test/math/QuaternionTestCase.hpp, |
459 |
+ |
test/math/RectMatrixTestCase.cpp, |
460 |
+ |
test/math/SquareMatrix3TestCase.cpp, test/math/Vector3TestCase.cpp, |
461 |
+ |
test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp: more |
462 |
+ |
bugs get fixed at math library |
463 |
+ |
|
464 |
+ |
2004-10-19 15:43 chuckv |
465 |
+ |
|
466 |
+ |
* src/UseTheForce/: DarkSide/atype_module_interface.h, |
467 |
+ |
DarkSide/eam_module_inteface.h, DarkSide/gb_module_interface.h, |
468 |
+ |
DarkSide/mpisimulation_module_interface.h, |
469 |
+ |
DarkSide/simulation_module_interface.h, |
470 |
+ |
DarkSide/sticky_pair_module_interface.h, DarkSide/calc_eam.F90, |
471 |
+ |
DarkSide/atype_module.F90, DarkSide/calc_gb.F90, |
472 |
+ |
DarkSide/calc_sticky_pair.F90, DarkSide/mpiSimulation_module.F90, |
473 |
+ |
DarkSide/simulation_module.F90, do_Forces.F90, |
474 |
+ |
fortranWrapDefines.hpp, mpiComponentPlan.h, notifyCutoffs.F90, |
475 |
+ |
notifycutoffs_module_interface.h: Added new files for fortran |
476 |
+ |
interface. |
477 |
+ |
|
478 |
+ |
2004-10-19 15:43 gezelter |
479 |
+ |
|
480 |
+ |
* src/UseTheForce/Makefile: regressing |
481 |
+ |
|
482 |
+ |
2004-10-19 15:40 gezelter |
483 |
+ |
|
484 |
+ |
* src/: UseTheForce/DarkSide/calc_shapes.F90, |
485 |
+ |
UseTheForce/DarkSide/shapes_module.h, utils/StringUtils.cpp: |
486 |
+ |
working on shapes for portability |
487 |
+ |
|
488 |
+ |
2004-10-19 15:40 gezelter |
489 |
+ |
|
490 |
+ |
* src/UseTheForce/: Makefile, Shapes_FF.cpp: working on shapes |
491 |
+ |
|
492 |
+ |
2004-10-19 13:21 chrisfen |
493 |
+ |
|
494 |
+ |
* src/utils/: StringUtils.cpp, StringUtils.hpp: changed around |
495 |
+ |
findBegin |
496 |
+ |
|
497 |
|
2004-10-18 23:34 tim |
498 |
|
|
499 |
|
* src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp: more bugs |