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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 1643 by tim, Mon Oct 25 17:03:56 2004 UTC

# Line 1 | Line 1
1 + 2004-10-22 18:09  tim
2 +
3 +        * ChangeLog, src/brains/Snapshot.hpp,
4 +        src/brains/SnapshotManager.hpp, src/math/SquareMatrix.hpp,
5 +        test/brains/SnapshotTestCase.cpp, test/brains/SnapshotTestCase.hpp,
6 +        test/brains/StuntDouble.hpp: more work in Snapshot
7 +
8 + 2004-10-22 17:59  chrisfen
9 +
10 +        * src/: UseTheForce/LJFF.cpp,
11 +        UseTheForce/DarkSide/atype_interface.h, types/AtomType.cpp: Dear
12 +        god!  It runs and conserves energy!
13 +
14 + 2004-10-22 17:54  chrisfen
15 +
16 +        * src/types/: AtomType.cpp, AtomType.hpp: strDUP not strCOPY
17 +
18 + 2004-10-22 17:53  chrisfen
19 +
20 +        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
21 +        UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp,
22 +        UseTheForce/WATER.cpp, UseTheForce/doForces.F90,
23 +        brains/SimInfo.cpp, brains/SimInfo.hpp: fixey fixey the breakey
24 +        breakey
25 +
26 + 2004-10-22 17:53  chrisfen
27 +
28 +        * make/Makefile.in: compiler flags
29 +
30 + 2004-10-22 16:20  gezelter
31 +
32 +        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
33 +        UseTheForce/LJFF.cpp, UseTheForce/doForces.F90,
34 +        brains/fSimulation.h, types/AtomType.hpp,
35 +        types/DirectionalAtomType.hpp: fixey fixey
36 +
37 + 2004-10-22 15:22  gezelter
38 +
39 +        * src/UseTheForce/DarkSide/: LJ.F90, atype.F90, atype_interface.h,
40 +        charge.F90, charge_interface.h, dipole.F90, dipole_interface.h,
41 +        lj_interface.h, shapes.F90, simulation.F90: Added un-busticated
42 +        fortran files and c/Fortran interfaces
43 +
44 + 2004-10-22 15:21  gezelter
45 +
46 +        * src/types/: AtomType.cpp, AtomType.hpp, AtomTypeProperties.h,
47 +        DirectionalAtomType.hpp, Makefile: More on AtomType and
48 +        DirectionalAtomType
49 +
50 + 2004-10-22 09:47  gezelter
51 +
52 +        * src/types/AtomType.hpp: Adding AtomType
53 +
54 + 2004-10-21 16:31  tim
55 +
56 +        * ChangeLog, src/brains/Snapshot.hpp,
57 +        src/brains/SnapshotManager.hpp, src/math/RectMatrix.hpp,
58 +        src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp,
59 +        src/math/Vector.hpp, src/math/Vector3.hpp,
60 +        test/math/RectMatrixTestCase.cpp, test/math/VectorTestCase.cpp:
61 +        Snapshot and SnapshotManager in progress
62 +
63 + 2004-10-21 16:30  tim
64 +
65 +        * test/brains/: BrainsTest.cpp, Makefile,
66 +        SnapshotManagerTestCase.cpp, SnapshotManagerTestCase.hpp,
67 +        SnapshotTestCase.cpp, SnapshotTestCase.hpp: adding test case for
68 +        Snapshot and snapshotManager.
69 +
70 + 2004-10-21 15:15  gezelter
71 +
72 +        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
73 +        UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
74 +        UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp,
75 +        UseTheForce/WATER.cpp, UseTheForce/doForces.F90,
76 +        UseTheForce/doForces_interface.h, UseTheForce/fForceField.h,
77 +        UseTheForce/DarkSide/LJ.F90, UseTheForce/DarkSide/lj_interface.h,
78 +        brains/SimSetup.cpp, types/AtomTypeProperties.h: Breaky Breaky.  
79 +        Fixey Fixey.
80 +
81 + 2004-10-21 11:32  tim
82 +
83 +        * src/utils/GenericData.cpp, src/utils/Makefile,
84 +        test/utils/Makefile, test/utils/UtilTest: remove some junk files
85 +
86 + 2004-10-21 11:24  tim
87 +
88 +        * test/utils/GenericData.hpp: remove backup of  GenericData.hpp
89 +
90 + 2004-10-21 11:22  tim
91 +
92 +        * ChangeLog, src/brains/SimSetup.cpp,
93 +        src/constraints/ZConstraint.cpp, src/constraints/ZconsData.hpp,
94 +        src/integrators/NPT.cpp, src/integrators/NPTf.cpp,
95 +        src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp,
96 +        src/integrators/NVT.cpp, src/io/DumpReader.cpp,
97 +        src/io/InitializeFromFile.cpp, src/io/ZConsReader.cpp,
98 +        src/io/ZConsWriter.hpp, src/primitives/StuntDouble.hpp,
99 +        src/utils/GenericData.cpp, src/utils/GenericData.hpp,
100 +        src/visitors/AtomData.hpp, src/visitors/AtomVisitor.cpp,
101 +        src/visitors/AtomVisitor.hpp, src/visitors/CompositeVisitor.cpp,
102 +        src/visitors/CompositeVisitor.hpp, src/visitors/OtherVisitor.cpp,
103 +        src/visitors/OtherVisitor.hpp, src/visitors/RigidBodyVisitor.cpp,
104 +        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
105 +        src/visitors/ZconsVisitor.hpp: replace old GebericData with  new
106 +        GenericData
107 +
108 + 2004-10-21 10:25  chuckv
109 +
110 +        * src/UseTheForce/DarkSide/: LJ.F90, eam.F90: Added newLJtype to lj
111 +        module.
112 +
113 + 2004-10-21 10:24  chuckv
114 +
115 +        * src/UseTheForce/DarkSide/lj_interface.h: Added interface for
116 +        fortran lj module.
117 +
118 + 2004-10-20 17:54  tim
119 +
120 +        * ChangeLog, src/utils/PropertyMap.cpp, src/utils/PropertyMap.hpp,
121 +        test/utils/GenericDataTestCase.cpp, test/utils/Makefile,
122 +        test/utils/PropertyMapTestCase.cpp,
123 +        test/utils/PropertyMapTestCase.hpp, test/utils/UtilTest:
124 +        GenericData and PropertyMap  pass unit test.
125 +
126 + 2004-10-20 16:52  gezelter
127 +
128 +        * src/UseTheForce/: DUFF.cpp, WATER.cpp, DarkSide/sticky.F90,
129 +        DarkSide/sticky_interface.h: fixed a fortran name problem
130 +
131 + 2004-10-20 16:38  tim
132 +
133 +        * test/utils/: GenericData.hpp, GenericDataTestCase.cpp,
134 +        GenericDataTestCase.hpp, Makefile, PropertyMapTestCase.hpp,
135 +        UtilTest, UtilTest.cpp: adding generic data test case
136 +
137 + 2004-10-20 16:16  chuckv
138 +
139 +        * configure, ac-tools/aclocal.m4,
140 +        src/UseTheForce/DarkSide/Makefile,
141 +        src/UseTheForce/DarkSide/mpiSimulation.F90,
142 +        src/UseTheForce/DarkSide/mpiSimulation_interface.h,
143 +        src/UseTheForce/DarkSide/simParallel.F90,
144 +        src/UseTheForce/DarkSide/simParallel_interface.h,
145 +        src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp:
146 +        Fortran/C++ interface de-obfuscation project appears to be
147 +        complete!  Woo hoo!
148 +
149 + 2004-10-20 15:47  chuckv
150 +
151 +        * src/UseTheForce/: fortranWrapDefines.hpp, fortranWrappers.cpp,
152 +        fortranWrappers.hpp: Fortran/C++ interface de-obfuscation project
153 +        continues
154 +
155 + 2004-10-20 15:46  chuckv
156 +
157 +        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
158 +        UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
159 +        UseTheForce/LJFF.cpp, UseTheForce/Makefile, UseTheForce/WATER.cpp,
160 +        UseTheForce/doForces_interface.h,
161 +        UseTheForce/notifyCutoffs_interface.h, UseTheForce/wrappers.F90,
162 +        UseTheForce/DarkSide/atype_interface.h,
163 +        UseTheForce/DarkSide/eam_interface.h,
164 +        UseTheForce/DarkSide/gb_interface.h,
165 +        UseTheForce/DarkSide/mpiSimulation_interface.h,
166 +        UseTheForce/DarkSide/shapes_interface.h,
167 +        UseTheForce/DarkSide/simulation_interface.h,
168 +        UseTheForce/DarkSide/sticky_interface.h, brains/ForceFields.cpp,
169 +        brains/SimInfo.cpp, brains/SimInfo.hpp: Fortran/C++ interface
170 +        de-obfuscation project (It is a very long story)
171 +
172 + 2004-10-20 13:07  tim
173 +
174 +        * ChangeLog, src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp,
175 +        test/math/SquareMatrix3TestCase.cpp,
176 +        test/math/SquareMatrixTestCase.cpp,
177 +        test/math/SquareMatrixTestCase.hpp: Math library pass the unit test
178 +
179 + 2004-10-20 00:52  tim
180 +
181 +        * src/brains/: Snapshot.hpp, SnapshotManager.hpp: Snapshot and
182 +        SnapshotManager in design phase
183 +
184 + 2004-10-19 23:54  gezelter
185 +
186 +        * src/: brains/SimSetup.cpp, utils/StringUtils.cpp: namespace
187 +        problem prevented linking
188 +
189 + 2004-10-19 23:54  gezelter
190 +
191 +        * src/UseTheForce/Shapes_FF.cpp: fixed include
192 +
193 + 2004-10-19 23:26  gezelter
194 +
195 +        * src/utils/: Makefile, definitions.F90, definitions_module.F90,
196 +        oopseMPI.F90, oopseMPI_module.F90, status.F90, status_module.F90:
197 +        more fortran name mangling
198 +
199 + 2004-10-19 23:23  gezelter
200 +
201 +        * src/profiling/timing.F90: yet more fortran renaming
202 +
203 + 2004-10-19 23:19  gezelter
204 +
205 +        * src/UseTheForce/: Makefile, doForces.F90, doForces_interface.h,
206 +        do_Forces.F90, do_Forces.h, notifyCutoffs.F90,
207 +        notifyCutoffs_interface.h, notifycutoffs_module_interface.h,
208 +        wrappers.F90: Fortran name cleanup continues
209 +
210 + 2004-10-19 23:12  gezelter
211 +
212 +        * src/UseTheForce/DarkSide/: atype.F90, simulation.F90: fixing some
213 +        broken fortran stuff
214 +
215 + 2004-10-19 23:02  gezelter
216 +
217 +        * src/UseTheForce/DarkSide/: LJ.F90, Makefile, atype.F90,
218 +        atype_interface.h, atype_module.F90, atype_module_interface.h,
219 +        calc_LJ_FF.F90, calc_charge_charge.F90, calc_dipole_dipole.F90,
220 +        calc_eam.F90, calc_gb.F90, calc_reaction_field.F90,
221 +        calc_shapes.F90, calc_sticky_pair.F90, charge.F90, dipole.F90,
222 +        eam.F90, eam_interface.h, eam_module_inteface.h, gb.F90,
223 +        gb_interface.h, gb_module_interface.h, mpiSimulation.F90,
224 +        mpiSimulation_interface.h, mpiSimulation_module.F90,
225 +        mpisimulation_module_interface.h, reactionField.F90, shapes.F90,
226 +        shapes_interface.h, shapes_module.h, simulation.F90,
227 +        simulation_interface.h, simulation_module.F90,
228 +        simulation_module_interface.h, sticky.F90, sticky_interface.h,
229 +        sticky_pair_module_interface.h, switch_module.F90, switcheroo.F90:
230 +        name sanity on the fortran side
231 +
232 + 2004-10-19 19:18  tim
233 +
234 +        * test/math/SquareMatrix3TestCase.hpp: [no log message]
235 +
236 + 2004-10-19 18:01  tim
237 +
238 +        * src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
239 +        src/math/SquareMatrix3.hpp, test/math/SquareMatrix3TestCase.cpp:
240 +        except diagonalize(), all of functions in math library pass the
241 +        test
242 +
243 + 2004-10-19 17:43  chuckv
244 +
245 +        * src/UseTheForce/do_Forces.h: Added correct prototypes for
246 +        C-fortran interface functions.
247 +
248 + 2004-10-19 17:37  chuckv
249 +
250 +        * src/UseTheForce/DarkSide/: atype_module_interface.h,
251 +        eam_module_inteface.h, gb_module_interface.h,
252 +        mpisimulation_module_interface.h, simulation_module_interface.h,
253 +        sticky_pair_module_interface.h: Added correct prototypes for
254 +        C-fortran interface functions.
255 +
256 + 2004-10-19 16:28  tim
257 +
258 +        * ChangeLog, src/math/Quaternion.hpp, src/math/RectMatrix.hpp,
259 +        src/math/SquareMatrix.hpp, src/math/Vector.hpp,
260 +        test/math/QuaternionTestCase.cpp, test/math/QuaternionTestCase.hpp,
261 +        test/math/RectMatrixTestCase.cpp,
262 +        test/math/SquareMatrix3TestCase.cpp, test/math/Vector3TestCase.cpp,
263 +        test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp: more
264 +        bugs get fixed at math library
265 +
266 + 2004-10-19 15:43  chuckv
267 +
268 +        * src/UseTheForce/: DarkSide/atype_module_interface.h,
269 +        DarkSide/eam_module_inteface.h, DarkSide/gb_module_interface.h,
270 +        DarkSide/mpisimulation_module_interface.h,
271 +        DarkSide/simulation_module_interface.h,
272 +        DarkSide/sticky_pair_module_interface.h, DarkSide/calc_eam.F90,
273 +        DarkSide/atype_module.F90, DarkSide/calc_gb.F90,
274 +        DarkSide/calc_sticky_pair.F90, DarkSide/mpiSimulation_module.F90,
275 +        DarkSide/simulation_module.F90, do_Forces.F90,
276 +        fortranWrapDefines.hpp, mpiComponentPlan.h, notifyCutoffs.F90,
277 +        notifycutoffs_module_interface.h: Added new files for fortran
278 +        interface.
279 +
280 + 2004-10-19 15:43  gezelter
281 +
282 +        * src/UseTheForce/Makefile: regressing
283 +
284 + 2004-10-19 15:40  gezelter
285 +
286 +        * src/: UseTheForce/DarkSide/calc_shapes.F90,
287 +        UseTheForce/DarkSide/shapes_module.h, utils/StringUtils.cpp:
288 +        working on shapes for portability
289 +
290 + 2004-10-19 15:40  gezelter
291 +
292 +        * src/UseTheForce/: Makefile, Shapes_FF.cpp: working on shapes
293 +
294 + 2004-10-19 13:21  chrisfen
295 +
296 +        * src/utils/: StringUtils.cpp, StringUtils.hpp: changed around
297 +        findBegin
298 +
299 + 2004-10-18 23:34  tim
300 +
301 +        * src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp: more bugs
302 +        are fixed in Vector class
303 +
304 + 2004-10-18 23:28  tim
305 +
306 +        * test/math/: RectMatrixTestCase.cpp, RectMatrixTestCase.hpp: fix
307 +        some bugs in RectMatrixTestCase
308 +
309 + 2004-10-18 23:21  tim
310 +
311 +        * src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp,
312 +        test/math/RectMatrixTestCase.hpp, test/math/Vector3TestCase.cpp,
313 +        test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp,
314 +        test/math/VectorTestCase.hpp: implement more test cases
315 +
316 + 2004-10-18 18:13  tim
317 +
318 +        * ChangeLog, make/Doxyfile, src/math/Matrix3x3d.hpp,
319 +        src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
320 +        src/math/SquareMatrix3.hpp, src/math/Vector.hpp,
321 +        src/utils/StringTokenizer.hpp, test/math/Makefile,
322 +        test/math/VectorTestCase.cpp, test/math/VectorTestCase.hpp: more
323 +        tests on math library
324 +
325 + 2004-10-18 16:03  tim
326 +
327 +        * test/math/: Makefile, QuaternionTestCase.cpp,
328 +        QuaternionTestCase.hpp, RectMatrixTestCase.cpp,
329 +        SquareMatrix3TestCase.cpp, Vector3TestCase.cpp,
330 +        Vector3TestCase.hpp, VectorTestCase.cpp, VectorTestCase.hpp: adding
331 +        more testing units
332 +
333 + 2004-10-18 12:07  tim
334 +
335 +        * src/: brains/SimSetup.hpp, io/FileReader.hpp, math/Euler3.cpp,
336 +        math/Euler3.hpp, math/Quaternion.hpp, math/SquareMatrix3.hpp,
337 +        math/Vector3.hpp, types/ShapeType.cpp, types/ShapeType.hpp,
338 +        utils/GenericFactory.hpp: fix some bugs in Quaternion class
339 +
340 + 2004-10-18 11:30  gezelter
341 +
342 +        * src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp:
343 +        Your basic run of the mill real-valued versions of Y_l^m(\theta,
344 +        \phi)
345 +
346 + 2004-10-18 11:29  gezelter
347 +
348 +        * src/: math/Makefile, math/Matrix3x3d.hpp, math/Vector3.hpp,
349 +        types/Makefile, types/ShapeType.cpp, types/ShapeType.hpp,
350 +        utils/StringUtils.cpp, utils/StringUtils.hpp: Working on getting
351 +        Shapes into OOPSE
352 +
353 + 2004-10-18 10:21  gezelter
354 +
355 +        * src/types/: ShapeType.cpp, ShapeType.hpp: Added ShapeType
356 +
357 + 2004-10-18 00:23  tim
358 +
359 +        * test/math/VectorTestCase.hpp: adding  vector test case
360 +
361 + 2004-10-18 00:23  tim
362 +
363 +        * src/utils/GenericFactory.hpp: adding generic factory and vector
364 +        test case
365 +
366   2004-10-16 20:19  tim
367  
368          * src/math/: Quaternion.hpp, RectMatrix.hpp, SquareMatrix.hpp,
# Line 361 | Line 726
726  
727   2004-09-29 12:56  gezelter
728  
729 <        * make/: Make.conf.in, Makefile.in, _files/style.css: Working on
365 <        make stuff
729 >        * make/: Make.conf.in, Makefile.in: Working on make stuff
730  
731   2004-09-29 12:46  tim
732  
# Line 628 | Line 992
992          src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
993          src/visitors/RigidBodyVisitor.cpp,
994          src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
995 <        src/visitors/ZconsVisitor.hpp, make/Makefile,
632 <        make/_files/style.css, samples/Makefile.in,
995 >        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
996          samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
997          samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
998          samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
# Line 804 | Line 1167
1167          src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
1168          src/visitors/RigidBodyVisitor.cpp,
1169          src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
1170 <        src/visitors/ZconsVisitor.hpp, make/Makefile,
808 <        make/_files/style.css, samples/Makefile.in,
1170 >        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
1171          samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
1172          samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
1173          samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,

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