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Comparing trunk/OOPSE-4/ChangeLog (file contents):
Revision 1536 by gezelter, Wed Oct 6 21:27:02 2004 UTC vs.
Revision 1677 by tim, Thu Oct 28 20:41:18 2004 UTC

# Line 1 | Line 1
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
500 +        are fixed in Vector class
501 +
502 + 2004-10-18 23:28  tim
503 +
504 +        * test/math/: RectMatrixTestCase.cpp, RectMatrixTestCase.hpp: fix
505 +        some bugs in RectMatrixTestCase
506 +
507 + 2004-10-18 23:21  tim
508 +
509 +        * src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp,
510 +        test/math/RectMatrixTestCase.hpp, test/math/Vector3TestCase.cpp,
511 +        test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp,
512 +        test/math/VectorTestCase.hpp: implement more test cases
513 +
514 + 2004-10-18 18:13  tim
515 +
516 +        * ChangeLog, make/Doxyfile, src/math/Matrix3x3d.hpp,
517 +        src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
518 +        src/math/SquareMatrix3.hpp, src/math/Vector.hpp,
519 +        src/utils/StringTokenizer.hpp, test/math/Makefile,
520 +        test/math/VectorTestCase.cpp, test/math/VectorTestCase.hpp: more
521 +        tests on math library
522 +
523 + 2004-10-18 16:03  tim
524 +
525 +        * test/math/: Makefile, QuaternionTestCase.cpp,
526 +        QuaternionTestCase.hpp, RectMatrixTestCase.cpp,
527 +        SquareMatrix3TestCase.cpp, Vector3TestCase.cpp,
528 +        Vector3TestCase.hpp, VectorTestCase.cpp, VectorTestCase.hpp: adding
529 +        more testing units
530 +
531 + 2004-10-18 12:07  tim
532 +
533 +        * src/: brains/SimSetup.hpp, io/FileReader.hpp, math/Euler3.cpp,
534 +        math/Euler3.hpp, math/Quaternion.hpp, math/SquareMatrix3.hpp,
535 +        math/Vector3.hpp, types/ShapeType.cpp, types/ShapeType.hpp,
536 +        utils/GenericFactory.hpp: fix some bugs in Quaternion class
537 +
538 + 2004-10-18 11:30  gezelter
539 +
540 +        * src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp:
541 +        Your basic run of the mill real-valued versions of Y_l^m(\theta,
542 +        \phi)
543 +
544 + 2004-10-18 11:29  gezelter
545 +
546 +        * src/: math/Makefile, math/Matrix3x3d.hpp, math/Vector3.hpp,
547 +        types/Makefile, types/ShapeType.cpp, types/ShapeType.hpp,
548 +        utils/StringUtils.cpp, utils/StringUtils.hpp: Working on getting
549 +        Shapes into OOPSE
550 +
551 + 2004-10-18 10:21  gezelter
552 +
553 +        * src/types/: ShapeType.cpp, ShapeType.hpp: Added ShapeType
554 +
555 + 2004-10-18 00:23  tim
556 +
557 +        * test/math/VectorTestCase.hpp: adding  vector test case
558 +
559 + 2004-10-18 00:23  tim
560 +
561 +        * src/utils/GenericFactory.hpp: adding generic factory and vector
562 +        test case
563 +
564 + 2004-10-16 20:19  tim
565 +
566 +        * src/math/: Quaternion.hpp, RectMatrix.hpp, SquareMatrix.hpp,
567 +        SquareMatrix3.hpp, Vector.hpp, Vector3.hpp: math library in
568 +        progress
569 +
570 + 2004-10-15 20:31  tim
571 +
572 +        * src/math/Quaternion.hpp: add quaternion class
573 +
574 + 2004-10-15 16:11  tim
575 +
576 +        * test/io/: DUFF.frc, IfstrstreamTestCase.cpp,
577 +        IfstrstreamTestCase.hpp: adding test file
578 +
579 + 2004-10-15 16:10  tim
580 +
581 +        * src/io/basic_ifstrstream.hpp: fix a bunch of bugs
582 +
583 + 2004-10-15 15:42  tim
584 +
585 +        * src/io/basic_ifstrstream.hpp: change const_cast to statc_const
586 +
587 + 2004-10-15 15:35  tim
588 +
589 +        * src/io/basic_ifstrstream.hpp: fix a bug in basic_ifstrstream.hpp
590 +
591 + 2004-10-15 15:34  tim
592 +
593 +        * test/io/: IfstrstreamTestCase.cpp, Makefile: forget to use
594 +        namespace oopse
595 +
596 + 2004-10-15 14:38  chuckv
597 +
598 +        * configure, ac-tools/aclocal.m4: Changed optimization flags for
599 +        XLF and XLC.
600 +
601 + 2004-10-15 13:28  tim
602 +
603 +        * test/io/: IfstrstreamTestCase.cpp, IfstrstreamTestCase.hpp:
604 +        adding ifstrstream test case
605 +
606 + 2004-10-15 13:20  tim
607 +
608 +        * src/io/basic_ifstrstream.hpp: fix include
609 +
610 + 2004-10-15 13:18  tim
611 +
612 +        * src/math/SquareMatrix.hpp: fix incompatible declaration in jacobi
613 +
614 + 2004-10-15 13:17  tim
615 +
616 +        * test/math/: Makefile, RectMatrixTestCase.cpp: adding Makefile
617 +
618 + 2004-10-15 13:16  tim
619 +
620 +        * test/io/: Makefile, ifstrstreamTestCase.cpp,
621 +        ifstrstreamTestCase.hpp: adding test case for ifstrstream
622 +
623 + 2004-10-15 10:37  tim
624 +
625 +        * test/io/: IOTest.cpp, ifstrstreamTestCase.cpp,
626 +        ifstrstreamTestCase.hpp: add ifstrstreamTestCase
627 +
628 + 2004-10-15 10:20  tim
629 +
630 +        * src/io/basic_ifstrstream.hpp: add checkFilename Option
631 +
632 + 2004-10-15 10:19  tim
633 +
634 +        * test/math/: RectMatrixTestCase.cpp, RectMatrixTestCase.hpp,
635 +        SquareMatrixTestCase.cpp, SquareMatrixTestCase.hpp: add
636 +        SquareMatrixTestCase class
637 +
638 + 2004-10-15 02:52  tim
639 +
640 +        * src/io/basic_ifstrstream.hpp: adding basic_ifstrstream
641 +
642 + 2004-10-14 18:28  tim
643 +
644 +        * src/math/: RectMatrix.hpp, SquareMatrix.hpp, SquareMatrix3.hpp,
645 +        Vector.hpp: math library in progress
646 +
647 + 2004-10-14 18:27  tim
648 +
649 +        * src/io/FileReader.hpp: FileReader in progress
650 +
651 + 2004-10-13 18:53  tim
652 +
653 +        * src/math/: RectMatrix.hpp, SquareMatrix.hpp: Matrix in progress,
654 +        test in isOrthogonal of SquareMatrix is failed by some reasons
655 +
656 + 2004-10-13 17:28  tim
657 +
658 +        * src/utils/: PropertyMap.cpp, PropertyMap.hpp: adding PropertyMap
659 +        class
660 +
661 + 2004-10-13 17:27  tim
662 +
663 +        * test/math/: MainTest.cpp, RectMatrixTestCase.cpp,
664 +        RectMatrixTestCase.hpp: adding testing unit
665 +
666 + 2004-10-13 17:24  tim
667 +
668 +        * src/math/: RectMatrix.hpp, Vector.hpp: adding RectMatrix
669 +
670 + 2004-10-13 01:51  tim
671 +
672 +        * src/math/: SquareMatrix.hpp, SquareMatrix3.hpp, Vector.hpp,
673 +        Vector3.hpp: refactory vector and matrix classes
674 +
675 + 2004-10-13 01:50  tim
676 +
677 +        * src/math/Vector3d.hpp: Remove some Makefile.in
678 +
679 + 2004-10-12 18:57  tim
680 +
681 +        * src/math/: Matrix3x3d.hpp, Vector3d.hpp: add Vector3d.hpp and
682 +        Matrix3x3d.hpp
683 +
684 + 2004-10-12 14:08  tim
685 +
686 +        * doc/: cppstyle.html, style.css: adding c++ coding style
687 +
688 + 2004-10-11 17:15  tim
689 +
690 +        * src/: constraints/AbstractClasses.hpp,
691 +        integrators/AbstractClasses.hpp, primitives/AbstractClasses.hpp:
692 +        change #include "mpi.h" to #include <mpi.h> in AbstractClasses.hpp
693 +
694 + 2004-10-11 16:54  tim
695 +
696 +        * scripts/filepp: fix a bug in filepp
697 +
698 + 2004-10-11 16:13  tim
699 +
700 +        * make/Makefile.in: using filepp to generate dependencies instead
701 +        of compilers
702 +
703 + 2004-10-11 16:10  tim
704 +
705 +        * scripts/filepp: filepp can be used to generate dependencies for
706 +        c/c++ now
707 +
708 + 2004-10-11 13:40  tim
709 +
710 +        * make/Makefile.in: remove -module from F90Options
711 +
712 + 2004-10-11 13:01  tim
713 +
714 +        * make/Makefile.in: adding rules to move fortran 90 module to
715 +        target directory
716 +
717 + 2004-10-11 10:43  gezelter
718 +
719 +        * make/Makefile.in: fixed makefile.in
720 +
721 + 2004-10-11 09:51  tim
722 +
723 +        * scripts/filepp: remove "use bytes" which causes problem in sgi
724 +        machine
725 +
726 + 2004-10-11 09:26  tim
727 +
728 +        * forceFields/Makefile: add Makefile
729 +
730 + 2004-10-11 09:23  tim
731 +
732 +        * samples/: water/dimer/Makefile, water/spce/Makefile,
733 +        water/ssd/Makefile, water/ssde/Makefile, water/tip3p_ice/Makefile,
734 +        water/tip4p/Makefile, zcons/Makefile: fix Makefile under water
735 +        directory
736 +
737 + 2004-10-11 09:23  tim
738 +
739 +        * samples/argon/Makefile: remove argon.dump and argon.eor from
740 +        Makefile
741 +
742 + 2004-10-09 01:01  tim
743 +
744 +        * samples/: alkane/Makefile.in, argon/Makefile.in,
745 +        lipid/Makefile.in, metals/Makefile.in, minimizer/Makefile.in:
746 +        Remove some Makefile.in
747 +
748 + 2004-10-08 18:15  tim
749 +
750 +        * make/Makefile.in: [no log message]
751 +
752 + 2004-10-08 17:51  tim
753 +
754 +        * make/Makefile.in: fix make install
755 +
756 + 2004-10-08 17:10  tim
757 +
758 +        * make/Makefile.in: adding make install
759 +
760 + 2004-10-08 17:04  tim
761 +
762 +        * samples/: alkane/Makefile, argon/Makefile, lipid/Makefile,
763 +        metals/Makefile, minimizer/Makefile, water/Makefile.in,
764 +        water/dimer/Makefile, water/dimer/Makefile.in, water/spce/Makefile,
765 +        water/spce/Makefile.in, water/ssd/Makefile, water/ssd/Makefile.in,
766 +        water/ssde/Makefile, water/ssde/Makefile.in,
767 +        water/tip3p_ice/Makefile, water/tip3p_ice/Makefile.in,
768 +        water/tip4p/Makefile, water/tip4p/Makefile.in, zcons/Makefile,
769 +        zcons/Makefile.in: add Makefile to sample directory
770 +
771 + 2004-10-06 18:03  gezelter
772 +
773 +        * src/utils/: getopt.c, getopt1.c, gnugetopt.h: moved the getopt
774 +        stuff
775 +
776 + 2004-10-06 18:03  gezelter
777 +
778 +        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
779 +        make/Doxyfile, src/applications/getopt.c,
780 +        src/applications/getopt1.c, src/applications/gnugetopt.h: more
781 +        build fixes
782 +
783 + 2004-10-06 17:20  tim
784 +
785 +        * make/: Doxyfile, Makefile.in: adding doxygen configuration file
786 +
787 + 2004-10-06 17:19  tim
788 +
789 +        * scripts/filepp: filepp can handle different fortran module case
790 +        and suffix
791 +
792 + 2004-10-06 16:27  gezelter
793 +
794 +        * src/restraints/Restraints.cpp: Chris doesn't know about the
795 +        OOPSE-2.0 directory structure yet
796 +
797 + 2004-10-06 16:27  gezelter
798 +
799 +        * ChangeLog: Yeah yeah, we'lll get around to it later
800 +
801   2004-10-06 16:22  gezelter
802  
803 <        * configure, ac-tools/configure.in, ac-tools/fortran90.m4: cleaning
804 <        up build process
803 >        * configure, ac-tools/configure.in, ac-tools/fortran90.m4,
804 >        make/Makefile.in: cleaning up build process
805  
806 + 2004-10-06 15:01  chrisfen
807 +
808 +        * src/restraints/Restraints.cpp: made the file reading in
809 +        restraints more intelligent - no longer gives uninformative seg
810 +        faults
811 +
812 + 2004-10-06 14:55  gezelter
813 +
814 +        * src/applications/simpleBuilder/Make.ftemp.old: cleaning up
815 +
816   2004-10-06 14:51  gezelter
817  
818 <        * LICENSE, MPIobj/dummy: Cleaning up a bit
818 >        * LICENSE, MPIobj/dummy, make/Makefile, obj/dummy,
819 >        scripts/cleanSrc, src/brains/Makedepend: Cleaning up a bit
820  
821 + 2004-10-06 13:53  tim
822 +
823 +        * make/: Makefile, Makefile.in: fix make statistics
824 +
825 + 2004-10-06 13:18  tim
826 +
827 +        * make/: Makefile, Makefile.in: adding GNU make functions to
828 +        combine all of the static libraries to a big library
829 +
830 + 2004-10-05 17:57  tim
831 +
832 +        * make/: Makefile, Makefile.in:  adding shared library flag
833 +
834 + 2004-10-05 14:37  tim
835 +
836 +        * src/: Makefile, UseTheForce/Makefile,
837 +        UseTheForce/mpiSimulation_module.F90,
838 +        UseTheForce/DarkSide/Makefile,
839 +        UseTheForce/DarkSide/mpiSimulation_module.F90, math/Makefile: move
840 +        mpiSimulation_module to DarkSide
841 +
842 + 2004-10-05 14:35  tim
843 +
844 +        * make/: Makefile, Makefile.in: building MPI version;using static
845 +        library instead of shared library
846 +
847 + 2004-10-05 09:14  tim
848 +
849 +        * make/: Makefile, Makefile.in: pass __FORTRAN90 instead of __F90
850 +        to filepp
851 +
852 + 2004-10-04 15:56  tim
853 +
854 +        * make/: Makefile, Makefile.in: add make cvslog
855 +
856 + 2004-10-04 11:24  gezelter
857 +
858 +        * make/: Makefile, Makefile.in: more work on the parallel build
859 +
860 + 2004-10-04 11:06  gezelter
861 +
862 +        * make/: Makefile, Makefile.in: changes to backport declare flags
863 +
864 + 2004-10-04 10:27  gezelter
865 +
866 +        * src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp,
867 +        DarkSide/Makefile, DarkSide/calc_shapes.F90: Started work merging
868 +        shapes
869 +
870 + 2004-10-01 23:40  tim
871 +
872 +        * scripts/: filepp, sfmakedepend: remove sfmakedepend from cvs tree
873 +
874 + 2004-10-01 23:22  tim
875 +
876 +        * make/: Makefile, Makefile.in: add oopse_ as library prefix
877 +
878 + 2004-10-01 16:59  tim
879 +
880 +        * make/: Makefile, Makefile.in: fix a space trimming bug in filepp
881 +
882   2004-10-01 16:22  gezelter
883  
884 <        * Makefile, ac-tools/aclocal.m4: A few minor build changes
884 >        * Makefile, ac-tools/aclocal.m4, make/Makefile, make/Makefile.in: A
885 >        few minor build changes
886  
887 + 2004-10-01 16:11  tim
888 +
889 +        * scripts/filepp: adding fortran90 make dependency tool
890 +
891 + 2004-09-30 10:41  tim
892 +
893 +        * make/: Makefile, Makefile.in: make clean is smart enough to only
894 +        remove object files belong to current package.  turn off silent
895 +        mode
896 +
897 + 2004-09-29 16:55  tim
898 +
899 +        * src/: Makefile, UseTheForce/Makefile,
900 +        UseTheForce/DarkSide/Makefile, applications/dump2Xyz/Makefile,
901 +        applications/oopse/Makefile, applications/simpleBuilder/Makefile,
902 +        brains/Makedepend, brains/Makefile, constraints/Makefile,
903 +        integrators/Makefile, io/Makefile, math/Makefile,
904 +        minimizers/Makefile, primitives/Makefile, profiling/Makefile,
905 +        restraints/Makefile, types/Makefile, utils/Makefile,
906 +        visitors/Makefile: define DEV_ROOT as relative path
907 +
908 + 2004-09-29 16:54  tim
909 +
910 +        * make/: Makefile, Makefile.in: get the relative path by shell
911 +        script
912 +
913 + 2004-09-29 16:32  tim
914 +
915 +        * make/Makefile: eliminate DEV_ROOT by relative path
916 +
917 + 2004-09-29 13:37  tim
918 +
919 +        * make/Makefile.in: add PackageLibs;  fix dependency rule
920 +
921   2004-09-29 12:57  gezelter
922  
923          * configure, ac-tools/configure.in: updates
924  
925 + 2004-09-29 12:56  gezelter
926 +
927 +        * make/: Make.conf.in, Makefile.in: Working on make stuff
928 +
929   2004-09-29 12:46  tim
930  
931          * Makefile: If makefile does not exist, print error message
932  
933 + 2004-09-29 12:12  tim
934 +
935 +        * make/: Make.conf.in, Makefile: fix dependencies rule
936 +
937   2004-09-29 10:58  gezelter
938  
939 <        * Makefile: still working on build process
939 >        * Makefile, make/Makefile: still working on build process
940  
941 + 2004-09-29 10:00  tim
942 +
943 +        * make/Makefile: add print statment to rules
944 +
945 + 2004-09-29 09:59  tim
946 +
947 +        * src/: UseTheForce/Makefile, UseTheForce/DarkSide/Makefile,
948 +        applications/dump2Xyz/Makefile, applications/oopse/Makefile,
949 +        applications/simpleBuilder/Makefile, brains/Makefile,
950 +        constraints/Makefile, integrators/Makefile, io/Makefile,
951 +        math/Makefile, minimizers/Makefile, primitives/Makefile,
952 +        profiling/Makefile, restraints/Makefile, types/Makefile,
953 +        utils/Makefile, visitors/Makefile: change Makefile to relative path
954 +
955 + 2004-09-28 21:55  tim
956 +
957 +        * src/utils/: StringUtils.c, StringUtils.h: remove StringUtils.c
958 +        which cause headache in bulding libutils
959 +
960 + 2004-09-28 18:24  tim
961 +
962 +        * src/applications/: BaseLattice.cpp, BaseLattice.hpp,
963 +        Dump2XYZ.cpp, Dump2XYZ.ggo, Dump2XYZCmd.c, Dump2XYZCmd.h,
964 +        Lattice.cpp, Lattice.hpp, LatticeCreator.cpp, LatticeCreator.hpp,
965 +        LatticeFactory.cpp, LatticeFactory.hpp, MoLocator.cpp,
966 +        MoLocator.hpp, Vector3d.hpp, cmdline.c, cmdline.h, nanoBuilder.cpp,
967 +        nanoBuilder.hpp, oopse.cpp, simpleBuilder.cpp, simpleBuilder.ggo,
968 +        simpleBuilderCmd.c, simpleBuilderCmd.h, dump2Xyz/Dump2XYZ.cpp,
969 +        dump2Xyz/Dump2XYZ.ggo, dump2Xyz/Dump2XYZCmd.c,
970 +        dump2Xyz/Dump2XYZCmd.h, dump2Xyz/Makefile, oopse/Makefile,
971 +        oopse/oopse.cpp, simpleBuilder/BaseLattice.cpp,
972 +        simpleBuilder/BaseLattice.hpp, simpleBuilder/Lattice.cpp,
973 +        simpleBuilder/Lattice.hpp, simpleBuilder/LatticeCreator.cpp,
974 +        simpleBuilder/LatticeCreator.hpp, simpleBuilder/LatticeFactory.cpp,
975 +        simpleBuilder/LatticeFactory.hpp, simpleBuilder/Make.ftemp.old,
976 +        simpleBuilder/Makefile, simpleBuilder/MoLocator.cpp,
977 +        simpleBuilder/MoLocator.hpp, simpleBuilder/Vector3d.hpp,
978 +        simpleBuilder/simpleBuilder.cpp, simpleBuilder/simpleBuilder.ggo,
979 +        simpleBuilder/simpleBuilderCmd.c, simpleBuilder/simpleBuilderCmd.h:
980 +        change directory structure of application. Every executable file is
981 +        replaced in seperate directory
982 +
983 + 2004-09-28 17:15  gezelter
984 +
985 +        * lib/dummy: Keep that lib around, please.
986 +
987   2004-09-28 17:14  gezelter
988  
989 <        * Makefile, configure, ac-tools/configure.in: starting a configure
990 <        version
989 >        * Makefile, configure, ac-tools/configure.in, make/Make.conf.in:
990 >        starting a configure version
991  
992 + 2004-09-28 16:08  tim
993 +
994 +        * src/: UseTheForce/Makefile, UseTheForce/notifyCutoffs.F90,
995 +        UseTheForce/DarkSide/Makefile,
996 +        UseTheForce/DarkSide/notifyCutoffs.F90,
997 +        UseTheForce/DarkSide/simulation_module.F90, brains/Makedepend,
998 +        brains/Makefile, brains/simulation_module.F90: move fortran files
999 +        around to solve dependency problem
1000 +
1001   2004-09-28 15:43  tim
1002  
1003 <        * Makefile: [no log message]
1003 >        * Makefile, src/UseTheForce/ForceFields.hpp,
1004 >        src/UseTheForce/Makefile, src/applications/BaseLattice.hpp,
1005 >        src/applications/Makedepend, src/applications/Makefile,
1006 >        src/brains/Makedepend, src/brains/simulation_module.F90,
1007 >        src/integrators/AllIntegrator.hpp, src/math/Euler3.cpp,
1008 >        src/math/Makefile, src/minimizers/OOPSEMinimizer.cpp,
1009 >        src/utils/Makefile: [no log message]
1010 >
1011 > 2004-09-28 15:41  tim
1012 >
1013 >        * make/Makefile, scripts/sfmakedepend: fix fortran dependency
1014 >        problem
1015 >
1016 > 2004-09-28 11:13  tim
1017 >
1018 >        * make/Makefile, src/io/BASSlex.l, src/io/BASSyacc.y,
1019 >        src/io/Makefile: add yacc and lex rules
1020 >
1021 > 2004-09-27 15:24  tim
1022 >
1023 >        * make/Makefile: adding include path to F90Options
1024 >
1025 > 2004-09-27 15:13  tim
1026 >
1027 >        * make/Makefile: change suffix from .cc to .cpp
1028 >
1029 > 2004-09-24 11:27  tim
1030 >
1031 >        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
1032 >        UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
1033 >        UseTheForce/LJFF.cpp, UseTheForce/WATER.cpp,
1034 >        UseTheForce/do_Forces.F90, UseTheForce/fortranWrapDefines.hpp,
1035 >        UseTheForce/fortranWrappers.cpp, UseTheForce/fortranWrappers.hpp,
1036 >        UseTheForce/mpiForceField.c, UseTheForce/mpiSimulation_module.F90,
1037 >        UseTheForce/DarkSide/calc_LJ_FF.F90,
1038 >        UseTheForce/DarkSide/notifyCutoffs.F90,
1039 >        UseTheForce/DarkSide/switch_module.F90,
1040 >        applications/BaseLattice.cpp, applications/Dump2XYZ.cpp,
1041 >        applications/Dump2XYZCmd.c, applications/Lattice.cpp,
1042 >        applications/Lattice.hpp, applications/LatticeCreator.cpp,
1043 >        applications/LatticeCreator.hpp, applications/LatticeFactory.cpp,
1044 >        applications/MoLocator.cpp, applications/MoLocator.hpp,
1045 >        applications/cmdline.c, applications/nanoBuilder.cpp,
1046 >        applications/oopse.cpp, applications/simpleBuilder.cpp,
1047 >        applications/simpleBuilderCmd.c, brains/Exclude.cpp,
1048 >        brains/ForceFields.cpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
1049 >        brains/SimSetup.cpp, brains/SimSetup.hpp, brains/SimState.cpp,
1050 >        brains/SkipList.cpp, brains/Thermo.cpp, brains/Thermo.hpp,
1051 >        brains/mpiSimulation.cpp, brains/mpiSimulation.hpp,
1052 >        constraints/AbstractClasses.hpp, constraints/ZConstraint.cpp,
1053 >        integrators/AbstractClasses.hpp, integrators/Integrator.cpp,
1054 >        integrators/Integrator.hpp, integrators/NPT.cpp,
1055 >        integrators/NPTf.cpp, integrators/NPTi.cpp, integrators/NPTxyz.cpp,
1056 >        integrators/NVT.cpp, io/BASS_interface.cpp, io/BASS_parse.c,
1057 >        io/DumpReader.cpp, io/DumpWriter.cpp, io/Globals.cpp,
1058 >        io/Globals.hpp, io/InitializeFromFile.cpp, io/LinkedAssign.cpp,
1059 >        io/LinkedCommand.cpp, io/ReadWrite.hpp, io/StatWriter.cpp,
1060 >        io/ZConsReader.cpp, io/ZConsReader.hpp, io/ZConsWriter.cpp,
1061 >        io/ZConsWriter.hpp, io/interface.c, io/make_nodes.c,
1062 >        io/make_nodes.h, io/mpiBASS.c, io/mpiBASS.h, io/parse_interface.h,
1063 >        io/parse_tree.c, io/parse_tree.h, math/Euler3.cpp, math/MatVec3.c,
1064 >        math/MatVec3.h, math/randomSPRNG.cpp,
1065 >        minimizers/CGFamilyMinimizer.cpp, minimizers/OOPSEMinimizer.cpp,
1066 >        minimizers/OOPSEMinimizer.hpp, minimizers/PRCG.cpp,
1067 >        minimizers/SDMinimizer.cpp, primitives/AbstractClasses.hpp,
1068 >        primitives/Atom.cpp, primitives/Atom.hpp, primitives/Bend.cpp,
1069 >        primitives/BendExtensions.cpp, primitives/Bond.cpp,
1070 >        primitives/BondExtensions.cpp, primitives/CutoffGroup.hpp,
1071 >        primitives/DirectionalAtom.cpp, primitives/DirectionalAtom.hpp,
1072 >        primitives/GhostBend.cpp, primitives/Molecule.cpp,
1073 >        primitives/Molecule.hpp, primitives/RigidBody.cpp,
1074 >        primitives/RigidBody.hpp, primitives/SRI.hpp,
1075 >        primitives/StuntDouble.cpp, primitives/StuntDouble.hpp,
1076 >        primitives/Torsion.cpp, primitives/TorsionExtensions.cpp,
1077 >        profiling/mdProfile.cpp, restraints/Restraints.cpp,
1078 >        restraints/Restraints.hpp, types/AtomStamp.cpp,
1079 >        types/AtomStamp.hpp, types/BendStamp.cpp, types/BendStamp.hpp,
1080 >        types/BondStamp.cpp, types/BondStamp.hpp, types/Component.cpp,
1081 >        types/CutoffGroupStamp.cpp, types/CutoffGroupStamp.hpp,
1082 >        types/MakeStamps.cpp, types/MakeStamps.hpp,
1083 >        types/MoleculeStamp.cpp, types/MoleculeStamp.hpp,
1084 >        types/RigidBodyStamp.cpp, types/RigidBodyStamp.hpp,
1085 >        types/TorsionStamp.cpp, types/TorsionStamp.hpp,
1086 >        types/ZconStamp.cpp, types/ZconStamp.hpp, utils/GenericData.cpp,
1087 >        utils/StreamTokenizer.cpp, utils/StringUtils.c,
1088 >        utils/StringUtils.cpp, utils/Utility.cpp, utils/fError.c,
1089 >        utils/simError.c, visitors/AtomVisitor.cpp,
1090 >        visitors/AtomVisitor.hpp, visitors/CompositeVisitor.cpp,
1091 >        visitors/CompositeVisitor.hpp, visitors/OtherVisitor.cpp,
1092 >        visitors/OtherVisitor.hpp, visitors/RigidBodyVisitor.cpp,
1093 >        visitors/RigidBodyVisitor.hpp, visitors/ZconsVisitor.cpp,
1094 >        visitors/ZconsVisitor.hpp: change the #include in source files
1095  
1096   2004-09-23 23:16  gezelter
1097  
1098          * AUTHORS, ChangeLog, LICENSE, Makefile, README, configure,
1099 +        src/Makefile, src/config.h.in, src/constraints/AbstractClasses.hpp,
1100 +        src/constraints/Makefile, src/constraints/ZConstraint.cpp,
1101 +        src/UseTheForce/DUFF.cpp, src/UseTheForce/EAM_FF.cpp,
1102 +        src/UseTheForce/ForceFields.cpp, src/UseTheForce/ForceFields.hpp,
1103 +        src/UseTheForce/LJFF.cpp, src/UseTheForce/Makefile,
1104 +        src/UseTheForce/WATER.cpp, src/UseTheForce/do_Forces.F90,
1105 +        src/UseTheForce/fForceField.h,
1106 +        src/UseTheForce/fSwitchingFunction.h,
1107 +        src/UseTheForce/fortranWrapDefines.hpp,
1108 +        src/UseTheForce/fortranWrappers.cpp,
1109 +        src/UseTheForce/fortranWrappers.hpp,
1110 +        src/UseTheForce/mpiComponentPlan.h,
1111 +        src/UseTheForce/mpiForceField.c, src/UseTheForce/mpiForceField.h,
1112 +        src/UseTheForce/mpiSimulation_module.F90,
1113 +        src/UseTheForce/wrappers.F90, src/UseTheForce/DarkSide/Makefile,
1114 +        src/UseTheForce/DarkSide/atype_module.F90,
1115 +        src/UseTheForce/DarkSide/calc_LJ_FF.F90,
1116 +        src/UseTheForce/DarkSide/calc_charge_charge.F90,
1117 +        src/UseTheForce/DarkSide/calc_dipole_dipole.F90,
1118 +        src/UseTheForce/DarkSide/calc_eam.F90,
1119 +        src/UseTheForce/DarkSide/calc_gb.F90,
1120 +        src/UseTheForce/DarkSide/calc_reaction_field.F90,
1121 +        src/UseTheForce/DarkSide/calc_sticky_pair.F90,
1122 +        src/UseTheForce/DarkSide/force_globals.F90,
1123 +        src/UseTheForce/DarkSide/neighborLists.F90,
1124 +        src/UseTheForce/DarkSide/notifyCutoffs.F90,
1125 +        src/UseTheForce/DarkSide/switch_module.F90,
1126 +        src/io/BASS_interface.h, src/io/BASS_parse.c, src/io/BASS_parse.h,
1127 +        src/io/BASSlex.l, src/io/BASSyacc.y, src/io/DumpReader.cpp,
1128 +        src/io/DumpWriter.cpp, src/io/Globals.cpp,
1129 +        src/io/InitializeFromFile.cpp, src/io/LinkedAssign.hpp,
1130 +        src/io/LinkedCommand.cpp, src/io/LinkedCommand.hpp,
1131 +        src/io/Makefile, src/io/ReadWrite.hpp, src/io/StatWriter.cpp,
1132 +        src/io/ZConsReader.hpp, src/io/ZConsWriter.cpp,
1133 +        src/io/ZConsWriter.hpp, src/io/interface.c, src/io/make_nodes.c,
1134 +        src/io/make_nodes.h, src/io/mpiBASS.c, src/io/mpiBASS.h,
1135 +        src/io/node_list.h, src/io/parse_interface.h, src/io/parse_me.h,
1136 +        src/io/parse_tree.c, src/io/parse_tree.h, src/types/AtomStamp.cpp,
1137 +        src/types/AtomStamp.hpp, src/types/BendStamp.cpp,
1138 +        src/types/BendStamp.hpp, src/types/BondStamp.cpp,
1139 +        src/types/BondStamp.hpp, src/types/Component.cpp,
1140 +        src/types/Component.hpp, src/types/CutoffGroupStamp.cpp,
1141 +        src/types/CutoffGroupStamp.hpp, src/types/MakeStamps.cpp,
1142 +        src/types/MakeStamps.hpp, src/types/Makefile,
1143 +        src/types/MoleculeStamp.cpp, src/types/MoleculeStamp.hpp,
1144 +        src/types/RigidBodyStamp.cpp, src/types/RigidBodyStamp.hpp,
1145 +        src/types/TorsionStamp.cpp, src/types/TorsionStamp.hpp,
1146 +        src/types/ZconStamp.cpp, src/types/ZconStamp.hpp,
1147 +        src/applications/simpleBuilderCmd.h, src/brains/Exclude.cpp,
1148 +        src/brains/Exclude.hpp, src/brains/ForceFields.cpp,
1149 +        src/brains/Makedepend, src/brains/Makefile, src/brains/SimInfo.cpp,
1150 +        src/brains/SimInfo.hpp, src/brains/SimSetup.cpp,
1151 +        src/brains/SimSetup.hpp, src/brains/SimState.cpp,
1152 +        src/brains/SimState.hpp, src/brains/SkipList.cpp,
1153 +        src/brains/SkipList.hpp, src/brains/Thermo.cpp,
1154 +        src/brains/Thermo.hpp, src/brains/fSimulation.h,
1155 +        src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp,
1156 +        src/brains/simulation_module.F90, src/io/BASS_interface.cpp,
1157 +        src/io/Globals.hpp, src/io/LinkedAssign.cpp,
1158 +        src/io/ZConsReader.cpp, src/math/Euler3.cpp, src/math/Euler3.hpp,
1159 +        src/math/Makefile, src/math/MatVec3.c, src/math/MatVec3.h,
1160 +        src/math/mt19937ar.c, src/math/randomSPRNG.cpp,
1161 +        src/math/randomSPRNG.hpp, src/minimizers/CGFamilyMinimizer.cpp,
1162 +        src/minimizers/Makefile, src/minimizers/MinimizerParameterSet.hpp,
1163 +        src/minimizers/OOPSEMinimizer.cpp,
1164 +        src/minimizers/OOPSEMinimizer.hpp, src/minimizers/PRCG.cpp,
1165 +        src/minimizers/SDMinimizer.cpp, src/primitives/AbstractClasses.hpp,
1166 +        src/primitives/Atom.cpp, src/primitives/Atom.hpp,
1167 +        src/primitives/Bend.cpp, src/primitives/BendExtensions.cpp,
1168 +        src/primitives/Bond.cpp, src/primitives/BondExtensions.cpp,
1169 +        src/primitives/CutoffGroup.hpp, src/primitives/DirectionalAtom.cpp,
1170 +        src/primitives/DirectionalAtom.hpp, src/primitives/GhostBend.cpp,
1171 +        src/primitives/Makefile, src/primitives/Molecule.cpp,
1172 +        src/primitives/Molecule.hpp, src/primitives/RigidBody.cpp,
1173 +        src/primitives/RigidBody.hpp, src/primitives/SRI.hpp,
1174 +        src/primitives/StuntDouble.cpp, src/primitives/StuntDouble.hpp,
1175 +        src/primitives/Torsion.cpp, src/primitives/TorsionExtensions.cpp,
1176 +        src/restraints/Makefile, src/restraints/Restraints.cpp,
1177 +        src/restraints/Restraints.hpp, src/utils/GenericData.cpp,
1178 +        src/utils/GenericData.hpp, src/utils/Makefile,
1179 +        src/utils/StreamTokenizer.cpp, src/utils/StreamTokenizer.hpp,
1180 +        src/utils/StringUtils.c, src/utils/StringUtils.cpp,
1181 +        src/utils/StringUtils.h, src/utils/StringUtils.hpp,
1182 +        src/utils/TypeInfo.hpp, src/utils/Utility.cpp,
1183 +        src/utils/Utility.hpp, src/utils/definitions_module.F90,
1184 +        src/utils/fError.c, src/utils/oopseMPI_module.F90,
1185 +        src/utils/simError.c, src/utils/simError.h,
1186 +        src/utils/status_module.F90, src/utils/vector_class.F90,
1187 +        src/visitors/AtomVisitor.cpp, src/visitors/AtomVisitor.hpp,
1188 +        src/visitors/BaseVisitor.hpp, src/visitors/CompositeVisitor.cpp,
1189 +        src/visitors/CompositeVisitor.hpp, src/visitors/Makefile,
1190 +        src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
1191 +        src/visitors/RigidBodyVisitor.cpp,
1192 +        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
1193 +        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
1194 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
1195 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
1196 +        samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
1197 +        samples/metals/Au_nanoparticle.md, samples/metals/Makefile.in,
1198 +        samples/zcons/Makefile.in, samples/zcons/water.md,
1199 +        samples/zcons/zconsFixed.in, samples/zcons/zconsFixed.md,
1200 +        samples/zcons/zconsMoving.in, samples/zcons/zconsMoving.md,
1201 +        src/applications/BaseLattice.cpp, src/applications/BaseLattice.hpp,
1202 +        src/applications/Dump2XYZ.cpp, src/applications/Dump2XYZ.ggo,
1203 +        src/applications/Dump2XYZCmd.c, src/applications/Dump2XYZCmd.h,
1204 +        src/applications/Lattice.cpp, src/applications/Lattice.hpp,
1205 +        src/applications/LatticeCreator.cpp,
1206 +        src/applications/LatticeCreator.hpp,
1207 +        src/applications/LatticeFactory.cpp,
1208 +        src/applications/LatticeFactory.hpp, src/applications/Makedepend,
1209 +        src/applications/Makefile, src/applications/MoLocator.cpp,
1210 +        src/applications/MoLocator.hpp, src/applications/Vector3d.hpp,
1211 +        src/applications/cmdline.c, src/applications/cmdline.h,
1212 +        src/applications/getopt.c, src/applications/getopt1.c,
1213 +        src/applications/gnugetopt.h, src/applications/nanoBuilder.cpp,
1214 +        src/applications/nanoBuilder.hpp, src/applications/oopse.cpp,
1215 +        src/applications/quickLate.c, src/applications/simpleBuilder.cpp,
1216 +        src/applications/simpleBuilder.ggo,
1217 +        src/applications/simpleBuilderCmd.c,
1218 +        src/integrators/AbstractClasses.hpp,
1219 +        src/integrators/AllIntegrator.hpp, src/integrators/Integrator.cpp,
1220 +        src/integrators/Integrator.hpp, src/integrators/Makefile,
1221 +        src/integrators/NPT.cpp, src/integrators/NPTf.cpp,
1222 +        src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp,
1223 +        src/integrators/NVT.cpp, src/profiling/Makefile,
1224 +        src/profiling/mdProfile.cpp, src/profiling/mdProfile.hpp,
1225 +        src/profiling/timing.F90, samples/metals/Au_bulk.in,
1226 +        samples/metals/Au_nanoparticle.in, samples/metals/metals.md,
1227 +        samples/water/Makefile.in, samples/water/dimer/Makefile.in,
1228 +        samples/water/dimer/two.in, samples/water/dimer/two.md,
1229 +        samples/water/dimer/water.md, samples/water/spce/Makefile.in,
1230 +        samples/water/spce/spce.in, samples/water/spce/spce.md,
1231 +        samples/water/spce/water.md, samples/water/ssde/Makefile.in,
1232 +        samples/water/ssde/ssde.in, samples/water/ssde/ssde.md,
1233 +        samples/water/ssde/water.md, samples/water/tip3p_ice/Makefile.in,
1234 +        samples/water/tip3p_ice/tp3.in, samples/water/tip3p_ice/tp3.md,
1235 +        samples/water/tip3p_ice/water.md, samples/water/ssd/Makefile.in,
1236 +        samples/water/ssd/ssd.in, samples/water/ssd/ssd.md,
1237 +        samples/water/ssd/water.md, samples/water/tip4p/tp4.in,
1238 +        samples/water/tip4p/tp4.md, samples/water/tip4p/water.md,
1239 +        samples/alkane/Makefile.in, samples/alkane/alkanes.md,
1240 +        samples/alkane/butane.in, samples/alkane/butane.md,
1241 +        samples/argon/500.in, samples/argon/500.md,
1242 +        samples/argon/Makefile.in, samples/argon/ar864.in,
1243 +        samples/argon/ar864.md, samples/argon/argonNVT.in,
1244 +        samples/argon/argonNVT.md, samples/argon/lj.md,
1245 +        samples/lipid/5x5.in, samples/lipid/5x5.md,
1246 +        samples/lipid/Makefile.in, samples/lipid/lipid.md,
1247 +        samples/lipid/water.md, samples/minimizer/Makefile.in,
1248 +        samples/minimizer/WATER.frc, samples/minimizer/ssdEM.in,
1249 +        samples/minimizer/ssdEM.md, samples/minimizer/tip4p_two.in,
1250 +        samples/minimizer/tip4p_two.md, samples/minimizer/water.md,
1251 +        samples/water/tip4p/Makefile.in, forceFields/Ag.VC.funcfl,
1252 +        forceFields/Ag.u3.funcfl, forceFields/Ag.u6.funcfl,
1253 +        forceFields/Au.u6.funcfl, forceFields/Cu.VC.funcfl,
1254 +        forceFields/Cu.u3.funcfl, forceFields/Cu.u6.funcfl,
1255 +        forceFields/DUFF.frc, forceFields/DipoleTest.frc,
1256 +        forceFields/EAM.VC.frc, forceFields/EAM.frc,
1257 +        forceFields/EAM.u3.frc, forceFields/EAM.u6.frc,
1258 +        forceFields/Makefile.in, forceFields/Ni.u3.funcfl,
1259 +        forceFields/Ni.u6.funcfl, forceFields/Pd.VC.funcfl,
1260 +        forceFields/Pd.u6.funcfl, forceFields/Pt.u3.funcfl,
1261 +        forceFields/Pt.u6.funcfl, forceFields/WATER.frc, scripts/cleanSrc,
1262 +        scripts/cvs2cl.pl, scripts/makers, scripts/sfmakedepend,
1263          ac-tools/Make.conf.in, ac-tools/aclocal.m4, ac-tools/config.guess,
1264          ac-tools/config.sub, ac-tools/configure.in, ac-tools/fortran90.m4,
1265 <        ac-tools/install-sh, ac-tools/shtool: Import of OOPSE v. 2.0
1265 >        ac-tools/install-sh, ac-tools/shtool, doc/OOPSE.pdf,
1266 >        forceFields/Al.VC.funcfl, forceFields/Au.VC.funcfl,
1267 >        forceFields/Au.u3.funcfl, forceFields/LJFF.frc,
1268 >        forceFields/Ni.VC.funcfl, forceFields/Pd.u3.funcfl,
1269 >        forceFields/Pt.VC.funcfl: Import of OOPSE v. 2.0
1270  
1271   2004-09-23 23:16  gezelter
1272  
1273          * AUTHORS, ChangeLog, LICENSE, Makefile, README, configure,
1274 +        src/Makefile, src/config.h.in, src/constraints/AbstractClasses.hpp,
1275 +        src/constraints/Makefile, src/constraints/ZConstraint.cpp,
1276 +        src/UseTheForce/DUFF.cpp, src/UseTheForce/EAM_FF.cpp,
1277 +        src/UseTheForce/ForceFields.cpp, src/UseTheForce/ForceFields.hpp,
1278 +        src/UseTheForce/LJFF.cpp, src/UseTheForce/Makefile,
1279 +        src/UseTheForce/WATER.cpp, src/UseTheForce/do_Forces.F90,
1280 +        src/UseTheForce/fForceField.h,
1281 +        src/UseTheForce/fSwitchingFunction.h,
1282 +        src/UseTheForce/fortranWrapDefines.hpp,
1283 +        src/UseTheForce/fortranWrappers.cpp,
1284 +        src/UseTheForce/fortranWrappers.hpp,
1285 +        src/UseTheForce/mpiComponentPlan.h,
1286 +        src/UseTheForce/mpiForceField.c, src/UseTheForce/mpiForceField.h,
1287 +        src/UseTheForce/mpiSimulation_module.F90,
1288 +        src/UseTheForce/wrappers.F90, src/UseTheForce/DarkSide/Makefile,
1289 +        src/UseTheForce/DarkSide/atype_module.F90,
1290 +        src/UseTheForce/DarkSide/calc_LJ_FF.F90,
1291 +        src/UseTheForce/DarkSide/calc_charge_charge.F90,
1292 +        src/UseTheForce/DarkSide/calc_dipole_dipole.F90,
1293 +        src/UseTheForce/DarkSide/calc_eam.F90,
1294 +        src/UseTheForce/DarkSide/calc_gb.F90,
1295 +        src/UseTheForce/DarkSide/calc_reaction_field.F90,
1296 +        src/UseTheForce/DarkSide/calc_sticky_pair.F90,
1297 +        src/UseTheForce/DarkSide/force_globals.F90,
1298 +        src/UseTheForce/DarkSide/neighborLists.F90,
1299 +        src/UseTheForce/DarkSide/notifyCutoffs.F90,
1300 +        src/UseTheForce/DarkSide/switch_module.F90,
1301 +        src/io/BASS_interface.h, src/io/BASS_parse.c, src/io/BASS_parse.h,
1302 +        src/io/BASSlex.l, src/io/BASSyacc.y, src/io/DumpReader.cpp,
1303 +        src/io/DumpWriter.cpp, src/io/Globals.cpp,
1304 +        src/io/InitializeFromFile.cpp, src/io/LinkedAssign.hpp,
1305 +        src/io/LinkedCommand.cpp, src/io/LinkedCommand.hpp,
1306 +        src/io/Makefile, src/io/ReadWrite.hpp, src/io/StatWriter.cpp,
1307 +        src/io/ZConsReader.hpp, src/io/ZConsWriter.cpp,
1308 +        src/io/ZConsWriter.hpp, src/io/interface.c, src/io/make_nodes.c,
1309 +        src/io/make_nodes.h, src/io/mpiBASS.c, src/io/mpiBASS.h,
1310 +        src/io/node_list.h, src/io/parse_interface.h, src/io/parse_me.h,
1311 +        src/io/parse_tree.c, src/io/parse_tree.h, src/types/AtomStamp.cpp,
1312 +        src/types/AtomStamp.hpp, src/types/BendStamp.cpp,
1313 +        src/types/BendStamp.hpp, src/types/BondStamp.cpp,
1314 +        src/types/BondStamp.hpp, src/types/Component.cpp,
1315 +        src/types/Component.hpp, src/types/CutoffGroupStamp.cpp,
1316 +        src/types/CutoffGroupStamp.hpp, src/types/MakeStamps.cpp,
1317 +        src/types/MakeStamps.hpp, src/types/Makefile,
1318 +        src/types/MoleculeStamp.cpp, src/types/MoleculeStamp.hpp,
1319 +        src/types/RigidBodyStamp.cpp, src/types/RigidBodyStamp.hpp,
1320 +        src/types/TorsionStamp.cpp, src/types/TorsionStamp.hpp,
1321 +        src/types/ZconStamp.cpp, src/types/ZconStamp.hpp,
1322 +        src/applications/simpleBuilderCmd.h, src/brains/Exclude.cpp,
1323 +        src/brains/Exclude.hpp, src/brains/ForceFields.cpp,
1324 +        src/brains/Makedepend, src/brains/Makefile, src/brains/SimInfo.cpp,
1325 +        src/brains/SimInfo.hpp, src/brains/SimSetup.cpp,
1326 +        src/brains/SimSetup.hpp, src/brains/SimState.cpp,
1327 +        src/brains/SimState.hpp, src/brains/SkipList.cpp,
1328 +        src/brains/SkipList.hpp, src/brains/Thermo.cpp,
1329 +        src/brains/Thermo.hpp, src/brains/fSimulation.h,
1330 +        src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp,
1331 +        src/brains/simulation_module.F90, src/io/BASS_interface.cpp,
1332 +        src/io/Globals.hpp, src/io/LinkedAssign.cpp,
1333 +        src/io/ZConsReader.cpp, src/math/Euler3.cpp, src/math/Euler3.hpp,
1334 +        src/math/Makefile, src/math/MatVec3.c, src/math/MatVec3.h,
1335 +        src/math/mt19937ar.c, src/math/randomSPRNG.cpp,
1336 +        src/math/randomSPRNG.hpp, src/minimizers/CGFamilyMinimizer.cpp,
1337 +        src/minimizers/Makefile, src/minimizers/MinimizerParameterSet.hpp,
1338 +        src/minimizers/OOPSEMinimizer.cpp,
1339 +        src/minimizers/OOPSEMinimizer.hpp, src/minimizers/PRCG.cpp,
1340 +        src/minimizers/SDMinimizer.cpp, src/primitives/AbstractClasses.hpp,
1341 +        src/primitives/Atom.cpp, src/primitives/Atom.hpp,
1342 +        src/primitives/Bend.cpp, src/primitives/BendExtensions.cpp,
1343 +        src/primitives/Bond.cpp, src/primitives/BondExtensions.cpp,
1344 +        src/primitives/CutoffGroup.hpp, src/primitives/DirectionalAtom.cpp,
1345 +        src/primitives/DirectionalAtom.hpp, src/primitives/GhostBend.cpp,
1346 +        src/primitives/Makefile, src/primitives/Molecule.cpp,
1347 +        src/primitives/Molecule.hpp, src/primitives/RigidBody.cpp,
1348 +        src/primitives/RigidBody.hpp, src/primitives/SRI.hpp,
1349 +        src/primitives/StuntDouble.cpp, src/primitives/StuntDouble.hpp,
1350 +        src/primitives/Torsion.cpp, src/primitives/TorsionExtensions.cpp,
1351 +        src/restraints/Makefile, src/restraints/Restraints.cpp,
1352 +        src/restraints/Restraints.hpp, src/utils/GenericData.cpp,
1353 +        src/utils/GenericData.hpp, src/utils/Makefile,
1354 +        src/utils/StreamTokenizer.cpp, src/utils/StreamTokenizer.hpp,
1355 +        src/utils/StringUtils.c, src/utils/StringUtils.cpp,
1356 +        src/utils/StringUtils.h, src/utils/StringUtils.hpp,
1357 +        src/utils/TypeInfo.hpp, src/utils/Utility.cpp,
1358 +        src/utils/Utility.hpp, src/utils/definitions_module.F90,
1359 +        src/utils/fError.c, src/utils/oopseMPI_module.F90,
1360 +        src/utils/simError.c, src/utils/simError.h,
1361 +        src/utils/status_module.F90, src/utils/vector_class.F90,
1362 +        src/visitors/AtomVisitor.cpp, src/visitors/AtomVisitor.hpp,
1363 +        src/visitors/BaseVisitor.hpp, src/visitors/CompositeVisitor.cpp,
1364 +        src/visitors/CompositeVisitor.hpp, src/visitors/Makefile,
1365 +        src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
1366 +        src/visitors/RigidBodyVisitor.cpp,
1367 +        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
1368 +        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
1369 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
1370 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
1371 +        samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
1372 +        samples/metals/Au_nanoparticle.md, samples/metals/Makefile.in,
1373 +        samples/zcons/Makefile.in, samples/zcons/water.md,
1374 +        samples/zcons/zconsFixed.in, samples/zcons/zconsFixed.md,
1375 +        samples/zcons/zconsMoving.in, samples/zcons/zconsMoving.md,
1376 +        src/applications/BaseLattice.cpp, src/applications/BaseLattice.hpp,
1377 +        src/applications/Dump2XYZ.cpp, src/applications/Dump2XYZ.ggo,
1378 +        src/applications/Dump2XYZCmd.c, src/applications/Dump2XYZCmd.h,
1379 +        src/applications/Lattice.cpp, src/applications/Lattice.hpp,
1380 +        src/applications/LatticeCreator.cpp,
1381 +        src/applications/LatticeCreator.hpp,
1382 +        src/applications/LatticeFactory.cpp,
1383 +        src/applications/LatticeFactory.hpp, src/applications/Makedepend,
1384 +        src/applications/Makefile, src/applications/MoLocator.cpp,
1385 +        src/applications/MoLocator.hpp, src/applications/Vector3d.hpp,
1386 +        src/applications/cmdline.c, src/applications/cmdline.h,
1387 +        src/applications/getopt.c, src/applications/getopt1.c,
1388 +        src/applications/gnugetopt.h, src/applications/nanoBuilder.cpp,
1389 +        src/applications/nanoBuilder.hpp, src/applications/oopse.cpp,
1390 +        src/applications/quickLate.c, src/applications/simpleBuilder.cpp,
1391 +        src/applications/simpleBuilder.ggo,
1392 +        src/applications/simpleBuilderCmd.c,
1393 +        src/integrators/AbstractClasses.hpp,
1394 +        src/integrators/AllIntegrator.hpp, src/integrators/Integrator.cpp,
1395 +        src/integrators/Integrator.hpp, src/integrators/Makefile,
1396 +        src/integrators/NPT.cpp, src/integrators/NPTf.cpp,
1397 +        src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp,
1398 +        src/integrators/NVT.cpp, src/profiling/Makefile,
1399 +        src/profiling/mdProfile.cpp, src/profiling/mdProfile.hpp,
1400 +        src/profiling/timing.F90, samples/metals/Au_bulk.in,
1401 +        samples/metals/Au_nanoparticle.in, samples/metals/metals.md,
1402 +        samples/water/Makefile.in, samples/water/dimer/Makefile.in,
1403 +        samples/water/dimer/two.in, samples/water/dimer/two.md,
1404 +        samples/water/dimer/water.md, samples/water/spce/Makefile.in,
1405 +        samples/water/spce/spce.in, samples/water/spce/spce.md,
1406 +        samples/water/spce/water.md, samples/water/ssde/Makefile.in,
1407 +        samples/water/ssde/ssde.in, samples/water/ssde/ssde.md,
1408 +        samples/water/ssde/water.md, samples/water/tip3p_ice/Makefile.in,
1409 +        samples/water/tip3p_ice/tp3.in, samples/water/tip3p_ice/tp3.md,
1410 +        samples/water/tip3p_ice/water.md, samples/water/ssd/Makefile.in,
1411 +        samples/water/ssd/ssd.in, samples/water/ssd/ssd.md,
1412 +        samples/water/ssd/water.md, samples/water/tip4p/tp4.in,
1413 +        samples/water/tip4p/tp4.md, samples/water/tip4p/water.md,
1414 +        samples/alkane/Makefile.in, samples/alkane/alkanes.md,
1415 +        samples/alkane/butane.in, samples/alkane/butane.md,
1416 +        samples/argon/500.in, samples/argon/500.md,
1417 +        samples/argon/Makefile.in, samples/argon/ar864.in,
1418 +        samples/argon/ar864.md, samples/argon/argonNVT.in,
1419 +        samples/argon/argonNVT.md, samples/argon/lj.md,
1420 +        samples/lipid/5x5.in, samples/lipid/5x5.md,
1421 +        samples/lipid/Makefile.in, samples/lipid/lipid.md,
1422 +        samples/lipid/water.md, samples/minimizer/Makefile.in,
1423 +        samples/minimizer/WATER.frc, samples/minimizer/ssdEM.in,
1424 +        samples/minimizer/ssdEM.md, samples/minimizer/tip4p_two.in,
1425 +        samples/minimizer/tip4p_two.md, samples/minimizer/water.md,
1426 +        samples/water/tip4p/Makefile.in, forceFields/Ag.VC.funcfl,
1427 +        forceFields/Ag.u3.funcfl, forceFields/Ag.u6.funcfl,
1428 +        forceFields/Au.u6.funcfl, forceFields/Cu.VC.funcfl,
1429 +        forceFields/Cu.u3.funcfl, forceFields/Cu.u6.funcfl,
1430 +        forceFields/DUFF.frc, forceFields/DipoleTest.frc,
1431 +        forceFields/EAM.VC.frc, forceFields/EAM.frc,
1432 +        forceFields/EAM.u3.frc, forceFields/EAM.u6.frc,
1433 +        forceFields/Makefile.in, forceFields/Ni.u3.funcfl,
1434 +        forceFields/Ni.u6.funcfl, forceFields/Pd.VC.funcfl,
1435 +        forceFields/Pd.u6.funcfl, forceFields/Pt.u3.funcfl,
1436 +        forceFields/Pt.u6.funcfl, forceFields/WATER.frc, scripts/cleanSrc,
1437 +        scripts/cvs2cl.pl, scripts/makers, scripts/sfmakedepend,
1438          ac-tools/Make.conf.in, ac-tools/aclocal.m4, ac-tools/config.guess,
1439          ac-tools/config.sub, ac-tools/configure.in, ac-tools/fortran90.m4,
1440 <        ac-tools/install-sh, ac-tools/shtool: Initial revision
1440 >        ac-tools/install-sh, ac-tools/shtool, doc/OOPSE.pdf,
1441 >        forceFields/Al.VC.funcfl, forceFields/Au.VC.funcfl,
1442 >        forceFields/Au.u3.funcfl, forceFields/LJFF.frc,
1443 >        forceFields/Ni.VC.funcfl, forceFields/Pd.u3.funcfl,
1444 >        forceFields/Pt.VC.funcfl: Initial revision
1445  

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