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Comparing trunk/OOPSE-2.0/ChangeLog (file contents):
Revision 1594 by tim, Mon Oct 18 23:13:23 2004 UTC vs.
Revision 1644 by tim, Mon Oct 25 22:46:19 2004 UTC

# Line 1 | Line 1
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
327 +        are fixed in Vector class
328 +
329 + 2004-10-18 23:28  tim
330 +
331 +        * test/math/: RectMatrixTestCase.cpp, RectMatrixTestCase.hpp: fix
332 +        some bugs in RectMatrixTestCase
333 +
334 + 2004-10-18 23:21  tim
335 +
336 +        * src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp,
337 +        test/math/RectMatrixTestCase.hpp, test/math/Vector3TestCase.cpp,
338 +        test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp,
339 +        test/math/VectorTestCase.hpp: implement more test cases
340 +
341 + 2004-10-18 18:13  tim
342 +
343 +        * ChangeLog, make/Doxyfile, src/math/Matrix3x3d.hpp,
344 +        src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
345 +        src/math/SquareMatrix3.hpp, src/math/Vector.hpp,
346 +        src/utils/StringTokenizer.hpp, test/math/Makefile,
347 +        test/math/VectorTestCase.cpp, test/math/VectorTestCase.hpp: more
348 +        tests on math library
349 +
350 + 2004-10-18 16:03  tim
351 +
352 +        * test/math/: Makefile, QuaternionTestCase.cpp,
353 +        QuaternionTestCase.hpp, RectMatrixTestCase.cpp,
354 +        SquareMatrix3TestCase.cpp, Vector3TestCase.cpp,
355 +        Vector3TestCase.hpp, VectorTestCase.cpp, VectorTestCase.hpp: adding
356 +        more testing units
357 +
358 + 2004-10-18 12:07  tim
359 +
360 +        * src/: brains/SimSetup.hpp, io/FileReader.hpp, math/Euler3.cpp,
361 +        math/Euler3.hpp, math/Quaternion.hpp, math/SquareMatrix3.hpp,
362 +        math/Vector3.hpp, types/ShapeType.cpp, types/ShapeType.hpp,
363 +        utils/GenericFactory.hpp: fix some bugs in Quaternion class
364 +
365 + 2004-10-18 11:30  gezelter
366 +
367 +        * src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp:
368 +        Your basic run of the mill real-valued versions of Y_l^m(\theta,
369 +        \phi)
370 +
371 + 2004-10-18 11:29  gezelter
372 +
373 +        * src/: math/Makefile, math/Matrix3x3d.hpp, math/Vector3.hpp,
374 +        types/Makefile, types/ShapeType.cpp, types/ShapeType.hpp,
375 +        utils/StringUtils.cpp, utils/StringUtils.hpp: Working on getting
376 +        Shapes into OOPSE
377 +
378 + 2004-10-18 10:21  gezelter
379 +
380 +        * src/types/: ShapeType.cpp, ShapeType.hpp: Added ShapeType
381 +
382 + 2004-10-18 00:23  tim
383 +
384 +        * test/math/VectorTestCase.hpp: adding  vector test case
385 +
386 + 2004-10-18 00:23  tim
387 +
388 +        * src/utils/GenericFactory.hpp: adding generic factory and vector
389 +        test case
390 +
391   2004-10-16 20:19  tim
392  
393          * src/math/: Quaternion.hpp, RectMatrix.hpp, SquareMatrix.hpp,
# Line 361 | Line 751
751  
752   2004-09-29 12:56  gezelter
753  
754 <        * make/: Make.conf.in, Makefile.in, _files/style.css: Working on
365 <        make stuff
754 >        * make/: Make.conf.in, Makefile.in: Working on make stuff
755  
756   2004-09-29 12:46  tim
757  
# Line 628 | Line 1017
1017          src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
1018          src/visitors/RigidBodyVisitor.cpp,
1019          src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
1020 <        src/visitors/ZconsVisitor.hpp, make/Makefile,
632 <        make/_files/style.css, samples/Makefile.in,
1020 >        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
1021          samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
1022          samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
1023          samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
# Line 705 | Line 1093
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  
# Line 804 | Line 1192
1192          src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
1193          src/visitors/RigidBodyVisitor.cpp,
1194          src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
1195 <        src/visitors/ZconsVisitor.hpp, make/Makefile,
808 <        make/_files/style.css, samples/Makefile.in,
1195 >        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
1196          samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
1197          samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
1198          samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
# Line 881 | Line 1268
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  

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