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Comparing trunk/OOPSE-2.0/ChangeLog (file contents):
Revision 1536 by gezelter, Wed Oct 6 21:27:02 2004 UTC vs.
Revision 1648 by tim, Tue Oct 26 22:19:22 2004 UTC

# Line 1 | Line 1
1 + 2004-10-25 17:46  tim
2 +
3 +        * ChangeLog, src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
4 +        src/math/SquareMatrix3.hpp, src/math/Vector.hpp,
5 +        src/math/Vector3.hpp, test/brains/StuntDouble.hpp,
6 +        test/math/RectMatrixTestCase.cpp, test/math/Vector3TestCase.cpp,
7 +        test/math/VectorTestCase.cpp: add getArray function to  RectMatrix
8 +        and Vector classes
9 +
10 + 2004-10-25 12:03  tim
11 +
12 +        * ChangeLog, src/utils/GenericFactory.hpp,
13 +        test/utils/GenericFactoryTestCase.cpp,
14 +        test/utils/GenericFactoryTestCase.hpp, test/utils/Makefile: adding
15 +        GenericFactory Test Case. GenericFactory now can bed used to creat
16 +        ForcefieldFactory and IntegratorFactory etc.
17 +
18 + 2004-10-24 23:08  tim
19 +
20 +        * src/: brains/SimModel.hpp, brains/SimSnapshotManager.cpp,
21 +        brains/SimSnapshotManager.hpp, brains/Snapshot.hpp,
22 +        brains/SnapshotManager.hpp, utils/GenericFactory.hpp: more classes
23 +        get reconstructed
24 +
25 + 2004-10-24 02:55  tim
26 +
27 +        * src/utils/GenericFactory.hpp: GenericFactory pass unit test
28 +
29 + 2004-10-23 18:09  tim
30 +
31 +        * test/brains/: Atom.hpp, DirectionalAtom.hpp, RigidBody.hpp,
32 +        StuntDouble.cpp, StuntDouble.hpp, Atom.cpp, DirectioanlAtom.cpp,
33 +        RigidBody.cpp: Refactoring in progress
34 +
35 + 2004-10-22 18:09  tim
36 +
37 +        * ChangeLog, src/brains/Snapshot.hpp,
38 +        src/brains/SnapshotManager.hpp, src/math/SquareMatrix.hpp,
39 +        test/brains/SnapshotTestCase.cpp, test/brains/SnapshotTestCase.hpp,
40 +        test/brains/StuntDouble.hpp: more work in Snapshot
41 +
42 + 2004-10-22 17:59  chrisfen
43 +
44 +        * src/: UseTheForce/LJFF.cpp,
45 +        UseTheForce/DarkSide/atype_interface.h, types/AtomType.cpp: Dear
46 +        god!  It runs and conserves energy!
47 +
48 + 2004-10-22 17:54  chrisfen
49 +
50 +        * src/types/: AtomType.cpp, AtomType.hpp: strDUP not strCOPY
51 +
52 + 2004-10-22 17:53  chrisfen
53 +
54 +        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
55 +        UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp,
56 +        UseTheForce/WATER.cpp, UseTheForce/doForces.F90,
57 +        brains/SimInfo.cpp, brains/SimInfo.hpp: fixey fixey the breakey
58 +        breakey
59 +
60 + 2004-10-22 17:53  chrisfen
61 +
62 +        * make/Makefile.in: compiler flags
63 +
64 + 2004-10-22 16:20  gezelter
65 +
66 +        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
67 +        UseTheForce/LJFF.cpp, UseTheForce/doForces.F90,
68 +        brains/fSimulation.h, types/AtomType.hpp,
69 +        types/DirectionalAtomType.hpp: fixey fixey
70 +
71 + 2004-10-22 15:22  gezelter
72 +
73 +        * src/UseTheForce/DarkSide/: LJ.F90, atype.F90, atype_interface.h,
74 +        charge.F90, charge_interface.h, dipole.F90, dipole_interface.h,
75 +        lj_interface.h, shapes.F90, simulation.F90: Added un-busticated
76 +        fortran files and c/Fortran interfaces
77 +
78 + 2004-10-22 15:21  gezelter
79 +
80 +        * src/types/: AtomType.cpp, AtomType.hpp, AtomTypeProperties.h,
81 +        DirectionalAtomType.hpp, Makefile: More on AtomType and
82 +        DirectionalAtomType
83 +
84 + 2004-10-22 09:47  gezelter
85 +
86 +        * src/types/AtomType.hpp: Adding AtomType
87 +
88 + 2004-10-21 16:31  tim
89 +
90 +        * ChangeLog, src/brains/Snapshot.hpp,
91 +        src/brains/SnapshotManager.hpp, src/math/RectMatrix.hpp,
92 +        src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp,
93 +        src/math/Vector.hpp, src/math/Vector3.hpp,
94 +        test/math/RectMatrixTestCase.cpp, test/math/VectorTestCase.cpp:
95 +        Snapshot and SnapshotManager in progress
96 +
97 + 2004-10-21 16:30  tim
98 +
99 +        * test/brains/: BrainsTest.cpp, Makefile,
100 +        SnapshotManagerTestCase.cpp, SnapshotManagerTestCase.hpp,
101 +        SnapshotTestCase.cpp, SnapshotTestCase.hpp: adding test case for
102 +        Snapshot and snapshotManager.
103 +
104 + 2004-10-21 15:15  gezelter
105 +
106 +        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
107 +        UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
108 +        UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp,
109 +        UseTheForce/WATER.cpp, UseTheForce/doForces.F90,
110 +        UseTheForce/doForces_interface.h, UseTheForce/fForceField.h,
111 +        UseTheForce/DarkSide/LJ.F90, UseTheForce/DarkSide/lj_interface.h,
112 +        brains/SimSetup.cpp, types/AtomTypeProperties.h: Breaky Breaky.  
113 +        Fixey Fixey.
114 +
115 + 2004-10-21 11:32  tim
116 +
117 +        * src/utils/GenericData.cpp, src/utils/Makefile,
118 +        test/utils/Makefile, test/utils/UtilTest: remove some junk files
119 +
120 + 2004-10-21 11:24  tim
121 +
122 +        * test/utils/GenericData.hpp: remove backup of  GenericData.hpp
123 +
124 + 2004-10-21 11:22  tim
125 +
126 +        * ChangeLog, src/brains/SimSetup.cpp,
127 +        src/constraints/ZConstraint.cpp, src/constraints/ZconsData.hpp,
128 +        src/integrators/NPT.cpp, src/integrators/NPTf.cpp,
129 +        src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp,
130 +        src/integrators/NVT.cpp, src/io/DumpReader.cpp,
131 +        src/io/InitializeFromFile.cpp, src/io/ZConsReader.cpp,
132 +        src/io/ZConsWriter.hpp, src/primitives/StuntDouble.hpp,
133 +        src/utils/GenericData.cpp, src/utils/GenericData.hpp,
134 +        src/visitors/AtomData.hpp, src/visitors/AtomVisitor.cpp,
135 +        src/visitors/AtomVisitor.hpp, src/visitors/CompositeVisitor.cpp,
136 +        src/visitors/CompositeVisitor.hpp, src/visitors/OtherVisitor.cpp,
137 +        src/visitors/OtherVisitor.hpp, src/visitors/RigidBodyVisitor.cpp,
138 +        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
139 +        src/visitors/ZconsVisitor.hpp: replace old GebericData with  new
140 +        GenericData
141 +
142 + 2004-10-21 10:25  chuckv
143 +
144 +        * src/UseTheForce/DarkSide/: LJ.F90, eam.F90: Added newLJtype to lj
145 +        module.
146 +
147 + 2004-10-21 10:24  chuckv
148 +
149 +        * src/UseTheForce/DarkSide/lj_interface.h: Added interface for
150 +        fortran lj module.
151 +
152 + 2004-10-20 17:54  tim
153 +
154 +        * ChangeLog, src/utils/PropertyMap.cpp, src/utils/PropertyMap.hpp,
155 +        test/utils/GenericDataTestCase.cpp, test/utils/Makefile,
156 +        test/utils/PropertyMapTestCase.cpp,
157 +        test/utils/PropertyMapTestCase.hpp, test/utils/UtilTest:
158 +        GenericData and PropertyMap  pass unit test.
159 +
160 + 2004-10-20 16:52  gezelter
161 +
162 +        * src/UseTheForce/: DUFF.cpp, WATER.cpp, DarkSide/sticky.F90,
163 +        DarkSide/sticky_interface.h: fixed a fortran name problem
164 +
165 + 2004-10-20 16:38  tim
166 +
167 +        * test/utils/: GenericData.hpp, GenericDataTestCase.cpp,
168 +        GenericDataTestCase.hpp, Makefile, PropertyMapTestCase.hpp,
169 +        UtilTest, UtilTest.cpp: adding generic data test case
170 +
171 + 2004-10-20 16:16  chuckv
172 +
173 +        * configure, ac-tools/aclocal.m4,
174 +        src/UseTheForce/DarkSide/Makefile,
175 +        src/UseTheForce/DarkSide/mpiSimulation.F90,
176 +        src/UseTheForce/DarkSide/mpiSimulation_interface.h,
177 +        src/UseTheForce/DarkSide/simParallel.F90,
178 +        src/UseTheForce/DarkSide/simParallel_interface.h,
179 +        src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp:
180 +        Fortran/C++ interface de-obfuscation project appears to be
181 +        complete!  Woo hoo!
182 +
183 + 2004-10-20 15:47  chuckv
184 +
185 +        * src/UseTheForce/: fortranWrapDefines.hpp, fortranWrappers.cpp,
186 +        fortranWrappers.hpp: Fortran/C++ interface de-obfuscation project
187 +        continues
188 +
189 + 2004-10-20 15:46  chuckv
190 +
191 +        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
192 +        UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
193 +        UseTheForce/LJFF.cpp, UseTheForce/Makefile, UseTheForce/WATER.cpp,
194 +        UseTheForce/doForces_interface.h,
195 +        UseTheForce/notifyCutoffs_interface.h, UseTheForce/wrappers.F90,
196 +        UseTheForce/DarkSide/atype_interface.h,
197 +        UseTheForce/DarkSide/eam_interface.h,
198 +        UseTheForce/DarkSide/gb_interface.h,
199 +        UseTheForce/DarkSide/mpiSimulation_interface.h,
200 +        UseTheForce/DarkSide/shapes_interface.h,
201 +        UseTheForce/DarkSide/simulation_interface.h,
202 +        UseTheForce/DarkSide/sticky_interface.h, brains/ForceFields.cpp,
203 +        brains/SimInfo.cpp, brains/SimInfo.hpp: Fortran/C++ interface
204 +        de-obfuscation project (It is a very long story)
205 +
206 + 2004-10-20 13:07  tim
207 +
208 +        * ChangeLog, src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp,
209 +        test/math/SquareMatrix3TestCase.cpp,
210 +        test/math/SquareMatrixTestCase.cpp,
211 +        test/math/SquareMatrixTestCase.hpp: Math library pass the unit test
212 +
213 + 2004-10-20 00:52  tim
214 +
215 +        * src/brains/: Snapshot.hpp, SnapshotManager.hpp: Snapshot and
216 +        SnapshotManager in design phase
217 +
218 + 2004-10-19 23:54  gezelter
219 +
220 +        * src/: brains/SimSetup.cpp, utils/StringUtils.cpp: namespace
221 +        problem prevented linking
222 +
223 + 2004-10-19 23:54  gezelter
224 +
225 +        * src/UseTheForce/Shapes_FF.cpp: fixed include
226 +
227 + 2004-10-19 23:26  gezelter
228 +
229 +        * src/utils/: Makefile, definitions.F90, definitions_module.F90,
230 +        oopseMPI.F90, oopseMPI_module.F90, status.F90, status_module.F90:
231 +        more fortran name mangling
232 +
233 + 2004-10-19 23:23  gezelter
234 +
235 +        * src/profiling/timing.F90: yet more fortran renaming
236 +
237 + 2004-10-19 23:19  gezelter
238 +
239 +        * src/UseTheForce/: Makefile, doForces.F90, doForces_interface.h,
240 +        do_Forces.F90, do_Forces.h, notifyCutoffs.F90,
241 +        notifyCutoffs_interface.h, notifycutoffs_module_interface.h,
242 +        wrappers.F90: Fortran name cleanup continues
243 +
244 + 2004-10-19 23:12  gezelter
245 +
246 +        * src/UseTheForce/DarkSide/: atype.F90, simulation.F90: fixing some
247 +        broken fortran stuff
248 +
249 + 2004-10-19 23:02  gezelter
250 +
251 +        * src/UseTheForce/DarkSide/: LJ.F90, Makefile, atype.F90,
252 +        atype_interface.h, atype_module.F90, atype_module_interface.h,
253 +        calc_LJ_FF.F90, calc_charge_charge.F90, calc_dipole_dipole.F90,
254 +        calc_eam.F90, calc_gb.F90, calc_reaction_field.F90,
255 +        calc_shapes.F90, calc_sticky_pair.F90, charge.F90, dipole.F90,
256 +        eam.F90, eam_interface.h, eam_module_inteface.h, gb.F90,
257 +        gb_interface.h, gb_module_interface.h, mpiSimulation.F90,
258 +        mpiSimulation_interface.h, mpiSimulation_module.F90,
259 +        mpisimulation_module_interface.h, reactionField.F90, shapes.F90,
260 +        shapes_interface.h, shapes_module.h, simulation.F90,
261 +        simulation_interface.h, simulation_module.F90,
262 +        simulation_module_interface.h, sticky.F90, sticky_interface.h,
263 +        sticky_pair_module_interface.h, switch_module.F90, switcheroo.F90:
264 +        name sanity on the fortran side
265 +
266 + 2004-10-19 19:18  tim
267 +
268 +        * test/math/SquareMatrix3TestCase.hpp: [no log message]
269 +
270 + 2004-10-19 18:01  tim
271 +
272 +        * src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
273 +        src/math/SquareMatrix3.hpp, test/math/SquareMatrix3TestCase.cpp:
274 +        except diagonalize(), all of functions in math library pass the
275 +        test
276 +
277 + 2004-10-19 17:43  chuckv
278 +
279 +        * src/UseTheForce/do_Forces.h: Added correct prototypes for
280 +        C-fortran interface functions.
281 +
282 + 2004-10-19 17:37  chuckv
283 +
284 +        * src/UseTheForce/DarkSide/: atype_module_interface.h,
285 +        eam_module_inteface.h, gb_module_interface.h,
286 +        mpisimulation_module_interface.h, simulation_module_interface.h,
287 +        sticky_pair_module_interface.h: Added correct prototypes for
288 +        C-fortran interface functions.
289 +
290 + 2004-10-19 16:28  tim
291 +
292 +        * ChangeLog, src/math/Quaternion.hpp, src/math/RectMatrix.hpp,
293 +        src/math/SquareMatrix.hpp, src/math/Vector.hpp,
294 +        test/math/QuaternionTestCase.cpp, test/math/QuaternionTestCase.hpp,
295 +        test/math/RectMatrixTestCase.cpp,
296 +        test/math/SquareMatrix3TestCase.cpp, test/math/Vector3TestCase.cpp,
297 +        test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp: more
298 +        bugs get fixed at math library
299 +
300 + 2004-10-19 15:43  chuckv
301 +
302 +        * src/UseTheForce/: DarkSide/atype_module_interface.h,
303 +        DarkSide/eam_module_inteface.h, DarkSide/gb_module_interface.h,
304 +        DarkSide/mpisimulation_module_interface.h,
305 +        DarkSide/simulation_module_interface.h,
306 +        DarkSide/sticky_pair_module_interface.h, DarkSide/calc_eam.F90,
307 +        DarkSide/atype_module.F90, DarkSide/calc_gb.F90,
308 +        DarkSide/calc_sticky_pair.F90, DarkSide/mpiSimulation_module.F90,
309 +        DarkSide/simulation_module.F90, do_Forces.F90,
310 +        fortranWrapDefines.hpp, mpiComponentPlan.h, notifyCutoffs.F90,
311 +        notifycutoffs_module_interface.h: Added new files for fortran
312 +        interface.
313 +
314 + 2004-10-19 15:43  gezelter
315 +
316 +        * src/UseTheForce/Makefile: regressing
317 +
318 + 2004-10-19 15:40  gezelter
319 +
320 +        * src/: UseTheForce/DarkSide/calc_shapes.F90,
321 +        UseTheForce/DarkSide/shapes_module.h, utils/StringUtils.cpp:
322 +        working on shapes for portability
323 +
324 + 2004-10-19 15:40  gezelter
325 +
326 +        * src/UseTheForce/: Makefile, Shapes_FF.cpp: working on shapes
327 +
328 + 2004-10-19 13:21  chrisfen
329 +
330 +        * src/utils/: StringUtils.cpp, StringUtils.hpp: changed around
331 +        findBegin
332 +
333 + 2004-10-18 23:34  tim
334 +
335 +        * src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp: more bugs
336 +        are fixed in Vector class
337 +
338 + 2004-10-18 23:28  tim
339 +
340 +        * test/math/: RectMatrixTestCase.cpp, RectMatrixTestCase.hpp: fix
341 +        some bugs in RectMatrixTestCase
342 +
343 + 2004-10-18 23:21  tim
344 +
345 +        * src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp,
346 +        test/math/RectMatrixTestCase.hpp, test/math/Vector3TestCase.cpp,
347 +        test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp,
348 +        test/math/VectorTestCase.hpp: implement more test cases
349 +
350 + 2004-10-18 18:13  tim
351 +
352 +        * ChangeLog, make/Doxyfile, src/math/Matrix3x3d.hpp,
353 +        src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
354 +        src/math/SquareMatrix3.hpp, src/math/Vector.hpp,
355 +        src/utils/StringTokenizer.hpp, test/math/Makefile,
356 +        test/math/VectorTestCase.cpp, test/math/VectorTestCase.hpp: more
357 +        tests on math library
358 +
359 + 2004-10-18 16:03  tim
360 +
361 +        * test/math/: Makefile, QuaternionTestCase.cpp,
362 +        QuaternionTestCase.hpp, RectMatrixTestCase.cpp,
363 +        SquareMatrix3TestCase.cpp, Vector3TestCase.cpp,
364 +        Vector3TestCase.hpp, VectorTestCase.cpp, VectorTestCase.hpp: adding
365 +        more testing units
366 +
367 + 2004-10-18 12:07  tim
368 +
369 +        * src/: brains/SimSetup.hpp, io/FileReader.hpp, math/Euler3.cpp,
370 +        math/Euler3.hpp, math/Quaternion.hpp, math/SquareMatrix3.hpp,
371 +        math/Vector3.hpp, types/ShapeType.cpp, types/ShapeType.hpp,
372 +        utils/GenericFactory.hpp: fix some bugs in Quaternion class
373 +
374 + 2004-10-18 11:30  gezelter
375 +
376 +        * src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp:
377 +        Your basic run of the mill real-valued versions of Y_l^m(\theta,
378 +        \phi)
379 +
380 + 2004-10-18 11:29  gezelter
381 +
382 +        * src/: math/Makefile, math/Matrix3x3d.hpp, math/Vector3.hpp,
383 +        types/Makefile, types/ShapeType.cpp, types/ShapeType.hpp,
384 +        utils/StringUtils.cpp, utils/StringUtils.hpp: Working on getting
385 +        Shapes into OOPSE
386 +
387 + 2004-10-18 10:21  gezelter
388 +
389 +        * src/types/: ShapeType.cpp, ShapeType.hpp: Added ShapeType
390 +
391 + 2004-10-18 00:23  tim
392 +
393 +        * test/math/VectorTestCase.hpp: adding  vector test case
394 +
395 + 2004-10-18 00:23  tim
396 +
397 +        * src/utils/GenericFactory.hpp: adding generic factory and vector
398 +        test case
399 +
400 + 2004-10-16 20:19  tim
401 +
402 +        * src/math/: Quaternion.hpp, RectMatrix.hpp, SquareMatrix.hpp,
403 +        SquareMatrix3.hpp, Vector.hpp, Vector3.hpp: math library in
404 +        progress
405 +
406 + 2004-10-15 20:31  tim
407 +
408 +        * src/math/Quaternion.hpp: add quaternion class
409 +
410 + 2004-10-15 16:11  tim
411 +
412 +        * test/io/: DUFF.frc, IfstrstreamTestCase.cpp,
413 +        IfstrstreamTestCase.hpp: adding test file
414 +
415 + 2004-10-15 16:10  tim
416 +
417 +        * src/io/basic_ifstrstream.hpp: fix a bunch of bugs
418 +
419 + 2004-10-15 15:42  tim
420 +
421 +        * src/io/basic_ifstrstream.hpp: change const_cast to statc_const
422 +
423 + 2004-10-15 15:35  tim
424 +
425 +        * src/io/basic_ifstrstream.hpp: fix a bug in basic_ifstrstream.hpp
426 +
427 + 2004-10-15 15:34  tim
428 +
429 +        * test/io/: IfstrstreamTestCase.cpp, Makefile: forget to use
430 +        namespace oopse
431 +
432 + 2004-10-15 14:38  chuckv
433 +
434 +        * configure, ac-tools/aclocal.m4: Changed optimization flags for
435 +        XLF and XLC.
436 +
437 + 2004-10-15 13:28  tim
438 +
439 +        * test/io/: IfstrstreamTestCase.cpp, IfstrstreamTestCase.hpp:
440 +        adding ifstrstream test case
441 +
442 + 2004-10-15 13:20  tim
443 +
444 +        * src/io/basic_ifstrstream.hpp: fix include
445 +
446 + 2004-10-15 13:18  tim
447 +
448 +        * src/math/SquareMatrix.hpp: fix incompatible declaration in jacobi
449 +
450 + 2004-10-15 13:17  tim
451 +
452 +        * test/math/: Makefile, RectMatrixTestCase.cpp: adding Makefile
453 +
454 + 2004-10-15 13:16  tim
455 +
456 +        * test/io/: Makefile, ifstrstreamTestCase.cpp,
457 +        ifstrstreamTestCase.hpp: adding test case for ifstrstream
458 +
459 + 2004-10-15 10:37  tim
460 +
461 +        * test/io/: IOTest.cpp, ifstrstreamTestCase.cpp,
462 +        ifstrstreamTestCase.hpp: add ifstrstreamTestCase
463 +
464 + 2004-10-15 10:20  tim
465 +
466 +        * src/io/basic_ifstrstream.hpp: add checkFilename Option
467 +
468 + 2004-10-15 10:19  tim
469 +
470 +        * test/math/: RectMatrixTestCase.cpp, RectMatrixTestCase.hpp,
471 +        SquareMatrixTestCase.cpp, SquareMatrixTestCase.hpp: add
472 +        SquareMatrixTestCase class
473 +
474 + 2004-10-15 02:52  tim
475 +
476 +        * src/io/basic_ifstrstream.hpp: adding basic_ifstrstream
477 +
478 + 2004-10-14 18:28  tim
479 +
480 +        * src/math/: RectMatrix.hpp, SquareMatrix.hpp, SquareMatrix3.hpp,
481 +        Vector.hpp: math library in progress
482 +
483 + 2004-10-14 18:27  tim
484 +
485 +        * src/io/FileReader.hpp: FileReader in progress
486 +
487 + 2004-10-13 18:53  tim
488 +
489 +        * src/math/: RectMatrix.hpp, SquareMatrix.hpp: Matrix in progress,
490 +        test in isOrthogonal of SquareMatrix is failed by some reasons
491 +
492 + 2004-10-13 17:28  tim
493 +
494 +        * src/utils/: PropertyMap.cpp, PropertyMap.hpp: adding PropertyMap
495 +        class
496 +
497 + 2004-10-13 17:27  tim
498 +
499 +        * test/math/: MainTest.cpp, RectMatrixTestCase.cpp,
500 +        RectMatrixTestCase.hpp: adding testing unit
501 +
502 + 2004-10-13 17:24  tim
503 +
504 +        * src/math/: RectMatrix.hpp, Vector.hpp: adding RectMatrix
505 +
506 + 2004-10-13 01:51  tim
507 +
508 +        * src/math/: SquareMatrix.hpp, SquareMatrix3.hpp, Vector.hpp,
509 +        Vector3.hpp: refactory vector and matrix classes
510 +
511 + 2004-10-13 01:50  tim
512 +
513 +        * src/math/Vector3d.hpp: Remove some Makefile.in
514 +
515 + 2004-10-12 18:57  tim
516 +
517 +        * src/math/: Matrix3x3d.hpp, Vector3d.hpp: add Vector3d.hpp and
518 +        Matrix3x3d.hpp
519 +
520 + 2004-10-12 14:08  tim
521 +
522 +        * doc/: cppstyle.html, style.css: adding c++ coding style
523 +
524 + 2004-10-11 17:15  tim
525 +
526 +        * src/: constraints/AbstractClasses.hpp,
527 +        integrators/AbstractClasses.hpp, primitives/AbstractClasses.hpp:
528 +        change #include "mpi.h" to #include <mpi.h> in AbstractClasses.hpp
529 +
530 + 2004-10-11 16:54  tim
531 +
532 +        * scripts/filepp: fix a bug in filepp
533 +
534 + 2004-10-11 16:13  tim
535 +
536 +        * make/Makefile.in: using filepp to generate dependencies instead
537 +        of compilers
538 +
539 + 2004-10-11 16:10  tim
540 +
541 +        * scripts/filepp: filepp can be used to generate dependencies for
542 +        c/c++ now
543 +
544 + 2004-10-11 13:40  tim
545 +
546 +        * make/Makefile.in: remove -module from F90Options
547 +
548 + 2004-10-11 13:01  tim
549 +
550 +        * make/Makefile.in: adding rules to move fortran 90 module to
551 +        target directory
552 +
553 + 2004-10-11 10:43  gezelter
554 +
555 +        * make/Makefile.in: fixed makefile.in
556 +
557 + 2004-10-11 09:51  tim
558 +
559 +        * scripts/filepp: remove "use bytes" which causes problem in sgi
560 +        machine
561 +
562 + 2004-10-11 09:26  tim
563 +
564 +        * forceFields/Makefile: add Makefile
565 +
566 + 2004-10-11 09:23  tim
567 +
568 +        * samples/: water/dimer/Makefile, water/spce/Makefile,
569 +        water/ssd/Makefile, water/ssde/Makefile, water/tip3p_ice/Makefile,
570 +        water/tip4p/Makefile, zcons/Makefile: fix Makefile under water
571 +        directory
572 +
573 + 2004-10-11 09:23  tim
574 +
575 +        * samples/argon/Makefile: remove argon.dump and argon.eor from
576 +        Makefile
577 +
578 + 2004-10-09 01:01  tim
579 +
580 +        * samples/: alkane/Makefile.in, argon/Makefile.in,
581 +        lipid/Makefile.in, metals/Makefile.in, minimizer/Makefile.in:
582 +        Remove some Makefile.in
583 +
584 + 2004-10-08 18:15  tim
585 +
586 +        * make/Makefile.in: [no log message]
587 +
588 + 2004-10-08 17:51  tim
589 +
590 +        * make/Makefile.in: fix make install
591 +
592 + 2004-10-08 17:10  tim
593 +
594 +        * make/Makefile.in: adding make install
595 +
596 + 2004-10-08 17:04  tim
597 +
598 +        * samples/: alkane/Makefile, argon/Makefile, lipid/Makefile,
599 +        metals/Makefile, minimizer/Makefile, water/Makefile.in,
600 +        water/dimer/Makefile, water/dimer/Makefile.in, water/spce/Makefile,
601 +        water/spce/Makefile.in, water/ssd/Makefile, water/ssd/Makefile.in,
602 +        water/ssde/Makefile, water/ssde/Makefile.in,
603 +        water/tip3p_ice/Makefile, water/tip3p_ice/Makefile.in,
604 +        water/tip4p/Makefile, water/tip4p/Makefile.in, zcons/Makefile,
605 +        zcons/Makefile.in: add Makefile to sample directory
606 +
607 + 2004-10-06 18:03  gezelter
608 +
609 +        * src/utils/: getopt.c, getopt1.c, gnugetopt.h: moved the getopt
610 +        stuff
611 +
612 + 2004-10-06 18:03  gezelter
613 +
614 +        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
615 +        make/Doxyfile, src/applications/getopt.c,
616 +        src/applications/getopt1.c, src/applications/gnugetopt.h: more
617 +        build fixes
618 +
619 + 2004-10-06 17:20  tim
620 +
621 +        * make/: Doxyfile, Makefile.in: adding doxygen configuration file
622 +
623 + 2004-10-06 17:19  tim
624 +
625 +        * scripts/filepp: filepp can handle different fortran module case
626 +        and suffix
627 +
628 + 2004-10-06 16:27  gezelter
629 +
630 +        * src/restraints/Restraints.cpp: Chris doesn't know about the
631 +        OOPSE-2.0 directory structure yet
632 +
633 + 2004-10-06 16:27  gezelter
634 +
635 +        * ChangeLog: Yeah yeah, we'lll get around to it later
636 +
637   2004-10-06 16:22  gezelter
638  
639 <        * configure, ac-tools/configure.in, ac-tools/fortran90.m4: cleaning
640 <        up build process
639 >        * configure, ac-tools/configure.in, ac-tools/fortran90.m4,
640 >        make/Makefile.in: cleaning up build process
641  
642 + 2004-10-06 15:01  chrisfen
643 +
644 +        * src/restraints/Restraints.cpp: made the file reading in
645 +        restraints more intelligent - no longer gives uninformative seg
646 +        faults
647 +
648 + 2004-10-06 14:55  gezelter
649 +
650 +        * src/applications/simpleBuilder/Make.ftemp.old: cleaning up
651 +
652   2004-10-06 14:51  gezelter
653  
654 <        * LICENSE, MPIobj/dummy: Cleaning up a bit
654 >        * LICENSE, MPIobj/dummy, make/Makefile, obj/dummy,
655 >        scripts/cleanSrc, src/brains/Makedepend: Cleaning up a bit
656  
657 + 2004-10-06 13:53  tim
658 +
659 +        * make/: Makefile, Makefile.in: fix make statistics
660 +
661 + 2004-10-06 13:18  tim
662 +
663 +        * make/: Makefile, Makefile.in: adding GNU make functions to
664 +        combine all of the static libraries to a big library
665 +
666 + 2004-10-05 17:57  tim
667 +
668 +        * make/: Makefile, Makefile.in:  adding shared library flag
669 +
670 + 2004-10-05 14:37  tim
671 +
672 +        * src/: Makefile, UseTheForce/Makefile,
673 +        UseTheForce/mpiSimulation_module.F90,
674 +        UseTheForce/DarkSide/Makefile,
675 +        UseTheForce/DarkSide/mpiSimulation_module.F90, math/Makefile: move
676 +        mpiSimulation_module to DarkSide
677 +
678 + 2004-10-05 14:35  tim
679 +
680 +        * make/: Makefile, Makefile.in: building MPI version;using static
681 +        library instead of shared library
682 +
683 + 2004-10-05 09:14  tim
684 +
685 +        * make/: Makefile, Makefile.in: pass __FORTRAN90 instead of __F90
686 +        to filepp
687 +
688 + 2004-10-04 15:56  tim
689 +
690 +        * make/: Makefile, Makefile.in: add make cvslog
691 +
692 + 2004-10-04 11:24  gezelter
693 +
694 +        * make/: Makefile, Makefile.in: more work on the parallel build
695 +
696 + 2004-10-04 11:06  gezelter
697 +
698 +        * make/: Makefile, Makefile.in: changes to backport declare flags
699 +
700 + 2004-10-04 10:27  gezelter
701 +
702 +        * src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp,
703 +        DarkSide/Makefile, DarkSide/calc_shapes.F90: Started work merging
704 +        shapes
705 +
706 + 2004-10-01 23:40  tim
707 +
708 +        * scripts/: filepp, sfmakedepend: remove sfmakedepend from cvs tree
709 +
710 + 2004-10-01 23:22  tim
711 +
712 +        * make/: Makefile, Makefile.in: add oopse_ as library prefix
713 +
714 + 2004-10-01 16:59  tim
715 +
716 +        * make/: Makefile, Makefile.in: fix a space trimming bug in filepp
717 +
718   2004-10-01 16:22  gezelter
719  
720 <        * Makefile, ac-tools/aclocal.m4: A few minor build changes
720 >        * Makefile, ac-tools/aclocal.m4, make/Makefile, make/Makefile.in: A
721 >        few minor build changes
722  
723 + 2004-10-01 16:11  tim
724 +
725 +        * scripts/filepp: adding fortran90 make dependency tool
726 +
727 + 2004-09-30 10:41  tim
728 +
729 +        * make/: Makefile, Makefile.in: make clean is smart enough to only
730 +        remove object files belong to current package.  turn off silent
731 +        mode
732 +
733 + 2004-09-29 16:55  tim
734 +
735 +        * src/: Makefile, UseTheForce/Makefile,
736 +        UseTheForce/DarkSide/Makefile, applications/dump2Xyz/Makefile,
737 +        applications/oopse/Makefile, applications/simpleBuilder/Makefile,
738 +        brains/Makedepend, brains/Makefile, constraints/Makefile,
739 +        integrators/Makefile, io/Makefile, math/Makefile,
740 +        minimizers/Makefile, primitives/Makefile, profiling/Makefile,
741 +        restraints/Makefile, types/Makefile, utils/Makefile,
742 +        visitors/Makefile: define DEV_ROOT as relative path
743 +
744 + 2004-09-29 16:54  tim
745 +
746 +        * make/: Makefile, Makefile.in: get the relative path by shell
747 +        script
748 +
749 + 2004-09-29 16:32  tim
750 +
751 +        * make/Makefile: eliminate DEV_ROOT by relative path
752 +
753 + 2004-09-29 13:37  tim
754 +
755 +        * make/Makefile.in: add PackageLibs;  fix dependency rule
756 +
757   2004-09-29 12:57  gezelter
758  
759          * configure, ac-tools/configure.in: updates
760  
761 + 2004-09-29 12:56  gezelter
762 +
763 +        * make/: Make.conf.in, Makefile.in: Working on make stuff
764 +
765   2004-09-29 12:46  tim
766  
767          * Makefile: If makefile does not exist, print error message
768  
769 + 2004-09-29 12:12  tim
770 +
771 +        * make/: Make.conf.in, Makefile: fix dependencies rule
772 +
773   2004-09-29 10:58  gezelter
774  
775 <        * Makefile: still working on build process
775 >        * Makefile, make/Makefile: still working on build process
776  
777 + 2004-09-29 10:00  tim
778 +
779 +        * make/Makefile: add print statment to rules
780 +
781 + 2004-09-29 09:59  tim
782 +
783 +        * src/: UseTheForce/Makefile, UseTheForce/DarkSide/Makefile,
784 +        applications/dump2Xyz/Makefile, applications/oopse/Makefile,
785 +        applications/simpleBuilder/Makefile, brains/Makefile,
786 +        constraints/Makefile, integrators/Makefile, io/Makefile,
787 +        math/Makefile, minimizers/Makefile, primitives/Makefile,
788 +        profiling/Makefile, restraints/Makefile, types/Makefile,
789 +        utils/Makefile, visitors/Makefile: change Makefile to relative path
790 +
791 + 2004-09-28 21:55  tim
792 +
793 +        * src/utils/: StringUtils.c, StringUtils.h: remove StringUtils.c
794 +        which cause headache in bulding libutils
795 +
796 + 2004-09-28 18:24  tim
797 +
798 +        * src/applications/: BaseLattice.cpp, BaseLattice.hpp,
799 +        Dump2XYZ.cpp, Dump2XYZ.ggo, Dump2XYZCmd.c, Dump2XYZCmd.h,
800 +        Lattice.cpp, Lattice.hpp, LatticeCreator.cpp, LatticeCreator.hpp,
801 +        LatticeFactory.cpp, LatticeFactory.hpp, MoLocator.cpp,
802 +        MoLocator.hpp, Vector3d.hpp, cmdline.c, cmdline.h, nanoBuilder.cpp,
803 +        nanoBuilder.hpp, oopse.cpp, simpleBuilder.cpp, simpleBuilder.ggo,
804 +        simpleBuilderCmd.c, simpleBuilderCmd.h, dump2Xyz/Dump2XYZ.cpp,
805 +        dump2Xyz/Dump2XYZ.ggo, dump2Xyz/Dump2XYZCmd.c,
806 +        dump2Xyz/Dump2XYZCmd.h, dump2Xyz/Makefile, oopse/Makefile,
807 +        oopse/oopse.cpp, simpleBuilder/BaseLattice.cpp,
808 +        simpleBuilder/BaseLattice.hpp, simpleBuilder/Lattice.cpp,
809 +        simpleBuilder/Lattice.hpp, simpleBuilder/LatticeCreator.cpp,
810 +        simpleBuilder/LatticeCreator.hpp, simpleBuilder/LatticeFactory.cpp,
811 +        simpleBuilder/LatticeFactory.hpp, simpleBuilder/Make.ftemp.old,
812 +        simpleBuilder/Makefile, simpleBuilder/MoLocator.cpp,
813 +        simpleBuilder/MoLocator.hpp, simpleBuilder/Vector3d.hpp,
814 +        simpleBuilder/simpleBuilder.cpp, simpleBuilder/simpleBuilder.ggo,
815 +        simpleBuilder/simpleBuilderCmd.c, simpleBuilder/simpleBuilderCmd.h:
816 +        change directory structure of application. Every executable file is
817 +        replaced in seperate directory
818 +
819 + 2004-09-28 17:15  gezelter
820 +
821 +        * lib/dummy: Keep that lib around, please.
822 +
823   2004-09-28 17:14  gezelter
824  
825 <        * Makefile, configure, ac-tools/configure.in: starting a configure
826 <        version
825 >        * Makefile, configure, ac-tools/configure.in, make/Make.conf.in:
826 >        starting a configure version
827  
828 + 2004-09-28 16:08  tim
829 +
830 +        * src/: UseTheForce/Makefile, UseTheForce/notifyCutoffs.F90,
831 +        UseTheForce/DarkSide/Makefile,
832 +        UseTheForce/DarkSide/notifyCutoffs.F90,
833 +        UseTheForce/DarkSide/simulation_module.F90, brains/Makedepend,
834 +        brains/Makefile, brains/simulation_module.F90: move fortran files
835 +        around to solve dependency problem
836 +
837   2004-09-28 15:43  tim
838  
839 <        * Makefile: [no log message]
839 >        * Makefile, src/UseTheForce/ForceFields.hpp,
840 >        src/UseTheForce/Makefile, src/applications/BaseLattice.hpp,
841 >        src/applications/Makedepend, src/applications/Makefile,
842 >        src/brains/Makedepend, src/brains/simulation_module.F90,
843 >        src/integrators/AllIntegrator.hpp, src/math/Euler3.cpp,
844 >        src/math/Makefile, src/minimizers/OOPSEMinimizer.cpp,
845 >        src/utils/Makefile: [no log message]
846  
847 + 2004-09-28 15:41  tim
848 +
849 +        * make/Makefile, scripts/sfmakedepend: fix fortran dependency
850 +        problem
851 +
852 + 2004-09-28 11:13  tim
853 +
854 +        * make/Makefile, src/io/BASSlex.l, src/io/BASSyacc.y,
855 +        src/io/Makefile: add yacc and lex rules
856 +
857 + 2004-09-27 15:24  tim
858 +
859 +        * make/Makefile: adding include path to F90Options
860 +
861 + 2004-09-27 15:13  tim
862 +
863 +        * make/Makefile: change suffix from .cc to .cpp
864 +
865 + 2004-09-24 11:27  tim
866 +
867 +        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
868 +        UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
869 +        UseTheForce/LJFF.cpp, UseTheForce/WATER.cpp,
870 +        UseTheForce/do_Forces.F90, UseTheForce/fortranWrapDefines.hpp,
871 +        UseTheForce/fortranWrappers.cpp, UseTheForce/fortranWrappers.hpp,
872 +        UseTheForce/mpiForceField.c, UseTheForce/mpiSimulation_module.F90,
873 +        UseTheForce/DarkSide/calc_LJ_FF.F90,
874 +        UseTheForce/DarkSide/notifyCutoffs.F90,
875 +        UseTheForce/DarkSide/switch_module.F90,
876 +        applications/BaseLattice.cpp, applications/Dump2XYZ.cpp,
877 +        applications/Dump2XYZCmd.c, applications/Lattice.cpp,
878 +        applications/Lattice.hpp, applications/LatticeCreator.cpp,
879 +        applications/LatticeCreator.hpp, applications/LatticeFactory.cpp,
880 +        applications/MoLocator.cpp, applications/MoLocator.hpp,
881 +        applications/cmdline.c, applications/nanoBuilder.cpp,
882 +        applications/oopse.cpp, applications/simpleBuilder.cpp,
883 +        applications/simpleBuilderCmd.c, brains/Exclude.cpp,
884 +        brains/ForceFields.cpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
885 +        brains/SimSetup.cpp, brains/SimSetup.hpp, brains/SimState.cpp,
886 +        brains/SkipList.cpp, brains/Thermo.cpp, brains/Thermo.hpp,
887 +        brains/mpiSimulation.cpp, brains/mpiSimulation.hpp,
888 +        constraints/AbstractClasses.hpp, constraints/ZConstraint.cpp,
889 +        integrators/AbstractClasses.hpp, integrators/Integrator.cpp,
890 +        integrators/Integrator.hpp, integrators/NPT.cpp,
891 +        integrators/NPTf.cpp, integrators/NPTi.cpp, integrators/NPTxyz.cpp,
892 +        integrators/NVT.cpp, io/BASS_interface.cpp, io/BASS_parse.c,
893 +        io/DumpReader.cpp, io/DumpWriter.cpp, io/Globals.cpp,
894 +        io/Globals.hpp, io/InitializeFromFile.cpp, io/LinkedAssign.cpp,
895 +        io/LinkedCommand.cpp, io/ReadWrite.hpp, io/StatWriter.cpp,
896 +        io/ZConsReader.cpp, io/ZConsReader.hpp, io/ZConsWriter.cpp,
897 +        io/ZConsWriter.hpp, io/interface.c, io/make_nodes.c,
898 +        io/make_nodes.h, io/mpiBASS.c, io/mpiBASS.h, io/parse_interface.h,
899 +        io/parse_tree.c, io/parse_tree.h, math/Euler3.cpp, math/MatVec3.c,
900 +        math/MatVec3.h, math/randomSPRNG.cpp,
901 +        minimizers/CGFamilyMinimizer.cpp, minimizers/OOPSEMinimizer.cpp,
902 +        minimizers/OOPSEMinimizer.hpp, minimizers/PRCG.cpp,
903 +        minimizers/SDMinimizer.cpp, primitives/AbstractClasses.hpp,
904 +        primitives/Atom.cpp, primitives/Atom.hpp, primitives/Bend.cpp,
905 +        primitives/BendExtensions.cpp, primitives/Bond.cpp,
906 +        primitives/BondExtensions.cpp, primitives/CutoffGroup.hpp,
907 +        primitives/DirectionalAtom.cpp, primitives/DirectionalAtom.hpp,
908 +        primitives/GhostBend.cpp, primitives/Molecule.cpp,
909 +        primitives/Molecule.hpp, primitives/RigidBody.cpp,
910 +        primitives/RigidBody.hpp, primitives/SRI.hpp,
911 +        primitives/StuntDouble.cpp, primitives/StuntDouble.hpp,
912 +        primitives/Torsion.cpp, primitives/TorsionExtensions.cpp,
913 +        profiling/mdProfile.cpp, restraints/Restraints.cpp,
914 +        restraints/Restraints.hpp, types/AtomStamp.cpp,
915 +        types/AtomStamp.hpp, types/BendStamp.cpp, types/BendStamp.hpp,
916 +        types/BondStamp.cpp, types/BondStamp.hpp, types/Component.cpp,
917 +        types/CutoffGroupStamp.cpp, types/CutoffGroupStamp.hpp,
918 +        types/MakeStamps.cpp, types/MakeStamps.hpp,
919 +        types/MoleculeStamp.cpp, types/MoleculeStamp.hpp,
920 +        types/RigidBodyStamp.cpp, types/RigidBodyStamp.hpp,
921 +        types/TorsionStamp.cpp, types/TorsionStamp.hpp,
922 +        types/ZconStamp.cpp, types/ZconStamp.hpp, utils/GenericData.cpp,
923 +        utils/StreamTokenizer.cpp, utils/StringUtils.c,
924 +        utils/StringUtils.cpp, utils/Utility.cpp, utils/fError.c,
925 +        utils/simError.c, visitors/AtomVisitor.cpp,
926 +        visitors/AtomVisitor.hpp, visitors/CompositeVisitor.cpp,
927 +        visitors/CompositeVisitor.hpp, visitors/OtherVisitor.cpp,
928 +        visitors/OtherVisitor.hpp, visitors/RigidBodyVisitor.cpp,
929 +        visitors/RigidBodyVisitor.hpp, visitors/ZconsVisitor.cpp,
930 +        visitors/ZconsVisitor.hpp: change the #include in source files
931 +
932   2004-09-23 23:16  gezelter
933  
934          * AUTHORS, ChangeLog, LICENSE, Makefile, README, configure,
935 +        src/Makefile, src/config.h.in, src/constraints/AbstractClasses.hpp,
936 +        src/constraints/Makefile, src/constraints/ZConstraint.cpp,
937 +        src/UseTheForce/DUFF.cpp, src/UseTheForce/EAM_FF.cpp,
938 +        src/UseTheForce/ForceFields.cpp, src/UseTheForce/ForceFields.hpp,
939 +        src/UseTheForce/LJFF.cpp, src/UseTheForce/Makefile,
940 +        src/UseTheForce/WATER.cpp, src/UseTheForce/do_Forces.F90,
941 +        src/UseTheForce/fForceField.h,
942 +        src/UseTheForce/fSwitchingFunction.h,
943 +        src/UseTheForce/fortranWrapDefines.hpp,
944 +        src/UseTheForce/fortranWrappers.cpp,
945 +        src/UseTheForce/fortranWrappers.hpp,
946 +        src/UseTheForce/mpiComponentPlan.h,
947 +        src/UseTheForce/mpiForceField.c, src/UseTheForce/mpiForceField.h,
948 +        src/UseTheForce/mpiSimulation_module.F90,
949 +        src/UseTheForce/wrappers.F90, src/UseTheForce/DarkSide/Makefile,
950 +        src/UseTheForce/DarkSide/atype_module.F90,
951 +        src/UseTheForce/DarkSide/calc_LJ_FF.F90,
952 +        src/UseTheForce/DarkSide/calc_charge_charge.F90,
953 +        src/UseTheForce/DarkSide/calc_dipole_dipole.F90,
954 +        src/UseTheForce/DarkSide/calc_eam.F90,
955 +        src/UseTheForce/DarkSide/calc_gb.F90,
956 +        src/UseTheForce/DarkSide/calc_reaction_field.F90,
957 +        src/UseTheForce/DarkSide/calc_sticky_pair.F90,
958 +        src/UseTheForce/DarkSide/force_globals.F90,
959 +        src/UseTheForce/DarkSide/neighborLists.F90,
960 +        src/UseTheForce/DarkSide/notifyCutoffs.F90,
961 +        src/UseTheForce/DarkSide/switch_module.F90,
962 +        src/io/BASS_interface.h, src/io/BASS_parse.c, src/io/BASS_parse.h,
963 +        src/io/BASSlex.l, src/io/BASSyacc.y, src/io/DumpReader.cpp,
964 +        src/io/DumpWriter.cpp, src/io/Globals.cpp,
965 +        src/io/InitializeFromFile.cpp, src/io/LinkedAssign.hpp,
966 +        src/io/LinkedCommand.cpp, src/io/LinkedCommand.hpp,
967 +        src/io/Makefile, src/io/ReadWrite.hpp, src/io/StatWriter.cpp,
968 +        src/io/ZConsReader.hpp, src/io/ZConsWriter.cpp,
969 +        src/io/ZConsWriter.hpp, src/io/interface.c, src/io/make_nodes.c,
970 +        src/io/make_nodes.h, src/io/mpiBASS.c, src/io/mpiBASS.h,
971 +        src/io/node_list.h, src/io/parse_interface.h, src/io/parse_me.h,
972 +        src/io/parse_tree.c, src/io/parse_tree.h, src/types/AtomStamp.cpp,
973 +        src/types/AtomStamp.hpp, src/types/BendStamp.cpp,
974 +        src/types/BendStamp.hpp, src/types/BondStamp.cpp,
975 +        src/types/BondStamp.hpp, src/types/Component.cpp,
976 +        src/types/Component.hpp, src/types/CutoffGroupStamp.cpp,
977 +        src/types/CutoffGroupStamp.hpp, src/types/MakeStamps.cpp,
978 +        src/types/MakeStamps.hpp, src/types/Makefile,
979 +        src/types/MoleculeStamp.cpp, src/types/MoleculeStamp.hpp,
980 +        src/types/RigidBodyStamp.cpp, src/types/RigidBodyStamp.hpp,
981 +        src/types/TorsionStamp.cpp, src/types/TorsionStamp.hpp,
982 +        src/types/ZconStamp.cpp, src/types/ZconStamp.hpp,
983 +        src/applications/simpleBuilderCmd.h, src/brains/Exclude.cpp,
984 +        src/brains/Exclude.hpp, src/brains/ForceFields.cpp,
985 +        src/brains/Makedepend, src/brains/Makefile, src/brains/SimInfo.cpp,
986 +        src/brains/SimInfo.hpp, src/brains/SimSetup.cpp,
987 +        src/brains/SimSetup.hpp, src/brains/SimState.cpp,
988 +        src/brains/SimState.hpp, src/brains/SkipList.cpp,
989 +        src/brains/SkipList.hpp, src/brains/Thermo.cpp,
990 +        src/brains/Thermo.hpp, src/brains/fSimulation.h,
991 +        src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp,
992 +        src/brains/simulation_module.F90, src/io/BASS_interface.cpp,
993 +        src/io/Globals.hpp, src/io/LinkedAssign.cpp,
994 +        src/io/ZConsReader.cpp, src/math/Euler3.cpp, src/math/Euler3.hpp,
995 +        src/math/Makefile, src/math/MatVec3.c, src/math/MatVec3.h,
996 +        src/math/mt19937ar.c, src/math/randomSPRNG.cpp,
997 +        src/math/randomSPRNG.hpp, src/minimizers/CGFamilyMinimizer.cpp,
998 +        src/minimizers/Makefile, src/minimizers/MinimizerParameterSet.hpp,
999 +        src/minimizers/OOPSEMinimizer.cpp,
1000 +        src/minimizers/OOPSEMinimizer.hpp, src/minimizers/PRCG.cpp,
1001 +        src/minimizers/SDMinimizer.cpp, src/primitives/AbstractClasses.hpp,
1002 +        src/primitives/Atom.cpp, src/primitives/Atom.hpp,
1003 +        src/primitives/Bend.cpp, src/primitives/BendExtensions.cpp,
1004 +        src/primitives/Bond.cpp, src/primitives/BondExtensions.cpp,
1005 +        src/primitives/CutoffGroup.hpp, src/primitives/DirectionalAtom.cpp,
1006 +        src/primitives/DirectionalAtom.hpp, src/primitives/GhostBend.cpp,
1007 +        src/primitives/Makefile, src/primitives/Molecule.cpp,
1008 +        src/primitives/Molecule.hpp, src/primitives/RigidBody.cpp,
1009 +        src/primitives/RigidBody.hpp, src/primitives/SRI.hpp,
1010 +        src/primitives/StuntDouble.cpp, src/primitives/StuntDouble.hpp,
1011 +        src/primitives/Torsion.cpp, src/primitives/TorsionExtensions.cpp,
1012 +        src/restraints/Makefile, src/restraints/Restraints.cpp,
1013 +        src/restraints/Restraints.hpp, src/utils/GenericData.cpp,
1014 +        src/utils/GenericData.hpp, src/utils/Makefile,
1015 +        src/utils/StreamTokenizer.cpp, src/utils/StreamTokenizer.hpp,
1016 +        src/utils/StringUtils.c, src/utils/StringUtils.cpp,
1017 +        src/utils/StringUtils.h, src/utils/StringUtils.hpp,
1018 +        src/utils/TypeInfo.hpp, src/utils/Utility.cpp,
1019 +        src/utils/Utility.hpp, src/utils/definitions_module.F90,
1020 +        src/utils/fError.c, src/utils/oopseMPI_module.F90,
1021 +        src/utils/simError.c, src/utils/simError.h,
1022 +        src/utils/status_module.F90, src/utils/vector_class.F90,
1023 +        src/visitors/AtomVisitor.cpp, src/visitors/AtomVisitor.hpp,
1024 +        src/visitors/BaseVisitor.hpp, src/visitors/CompositeVisitor.cpp,
1025 +        src/visitors/CompositeVisitor.hpp, src/visitors/Makefile,
1026 +        src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
1027 +        src/visitors/RigidBodyVisitor.cpp,
1028 +        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
1029 +        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
1030 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
1031 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
1032 +        samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
1033 +        samples/metals/Au_nanoparticle.md, samples/metals/Makefile.in,
1034 +        samples/zcons/Makefile.in, samples/zcons/water.md,
1035 +        samples/zcons/zconsFixed.in, samples/zcons/zconsFixed.md,
1036 +        samples/zcons/zconsMoving.in, samples/zcons/zconsMoving.md,
1037 +        src/applications/BaseLattice.cpp, src/applications/BaseLattice.hpp,
1038 +        src/applications/Dump2XYZ.cpp, src/applications/Dump2XYZ.ggo,
1039 +        src/applications/Dump2XYZCmd.c, src/applications/Dump2XYZCmd.h,
1040 +        src/applications/Lattice.cpp, src/applications/Lattice.hpp,
1041 +        src/applications/LatticeCreator.cpp,
1042 +        src/applications/LatticeCreator.hpp,
1043 +        src/applications/LatticeFactory.cpp,
1044 +        src/applications/LatticeFactory.hpp, src/applications/Makedepend,
1045 +        src/applications/Makefile, src/applications/MoLocator.cpp,
1046 +        src/applications/MoLocator.hpp, src/applications/Vector3d.hpp,
1047 +        src/applications/cmdline.c, src/applications/cmdline.h,
1048 +        src/applications/getopt.c, src/applications/getopt1.c,
1049 +        src/applications/gnugetopt.h, src/applications/nanoBuilder.cpp,
1050 +        src/applications/nanoBuilder.hpp, src/applications/oopse.cpp,
1051 +        src/applications/quickLate.c, src/applications/simpleBuilder.cpp,
1052 +        src/applications/simpleBuilder.ggo,
1053 +        src/applications/simpleBuilderCmd.c,
1054 +        src/integrators/AbstractClasses.hpp,
1055 +        src/integrators/AllIntegrator.hpp, src/integrators/Integrator.cpp,
1056 +        src/integrators/Integrator.hpp, src/integrators/Makefile,
1057 +        src/integrators/NPT.cpp, src/integrators/NPTf.cpp,
1058 +        src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp,
1059 +        src/integrators/NVT.cpp, src/profiling/Makefile,
1060 +        src/profiling/mdProfile.cpp, src/profiling/mdProfile.hpp,
1061 +        src/profiling/timing.F90, samples/metals/Au_bulk.in,
1062 +        samples/metals/Au_nanoparticle.in, samples/metals/metals.md,
1063 +        samples/water/Makefile.in, samples/water/dimer/Makefile.in,
1064 +        samples/water/dimer/two.in, samples/water/dimer/two.md,
1065 +        samples/water/dimer/water.md, samples/water/spce/Makefile.in,
1066 +        samples/water/spce/spce.in, samples/water/spce/spce.md,
1067 +        samples/water/spce/water.md, samples/water/ssde/Makefile.in,
1068 +        samples/water/ssde/ssde.in, samples/water/ssde/ssde.md,
1069 +        samples/water/ssde/water.md, samples/water/tip3p_ice/Makefile.in,
1070 +        samples/water/tip3p_ice/tp3.in, samples/water/tip3p_ice/tp3.md,
1071 +        samples/water/tip3p_ice/water.md, samples/water/ssd/Makefile.in,
1072 +        samples/water/ssd/ssd.in, samples/water/ssd/ssd.md,
1073 +        samples/water/ssd/water.md, samples/water/tip4p/tp4.in,
1074 +        samples/water/tip4p/tp4.md, samples/water/tip4p/water.md,
1075 +        samples/alkane/Makefile.in, samples/alkane/alkanes.md,
1076 +        samples/alkane/butane.in, samples/alkane/butane.md,
1077 +        samples/argon/500.in, samples/argon/500.md,
1078 +        samples/argon/Makefile.in, samples/argon/ar864.in,
1079 +        samples/argon/ar864.md, samples/argon/argonNVT.in,
1080 +        samples/argon/argonNVT.md, samples/argon/lj.md,
1081 +        samples/lipid/5x5.in, samples/lipid/5x5.md,
1082 +        samples/lipid/Makefile.in, samples/lipid/lipid.md,
1083 +        samples/lipid/water.md, samples/minimizer/Makefile.in,
1084 +        samples/minimizer/WATER.frc, samples/minimizer/ssdEM.in,
1085 +        samples/minimizer/ssdEM.md, samples/minimizer/tip4p_two.in,
1086 +        samples/minimizer/tip4p_two.md, samples/minimizer/water.md,
1087 +        samples/water/tip4p/Makefile.in, forceFields/Ag.VC.funcfl,
1088 +        forceFields/Ag.u3.funcfl, forceFields/Ag.u6.funcfl,
1089 +        forceFields/Au.u6.funcfl, forceFields/Cu.VC.funcfl,
1090 +        forceFields/Cu.u3.funcfl, forceFields/Cu.u6.funcfl,
1091 +        forceFields/DUFF.frc, forceFields/DipoleTest.frc,
1092 +        forceFields/EAM.VC.frc, forceFields/EAM.frc,
1093 +        forceFields/EAM.u3.frc, forceFields/EAM.u6.frc,
1094 +        forceFields/Makefile.in, forceFields/Ni.u3.funcfl,
1095 +        forceFields/Ni.u6.funcfl, forceFields/Pd.VC.funcfl,
1096 +        forceFields/Pd.u6.funcfl, forceFields/Pt.u3.funcfl,
1097 +        forceFields/Pt.u6.funcfl, forceFields/WATER.frc, scripts/cleanSrc,
1098 +        scripts/cvs2cl.pl, scripts/makers, scripts/sfmakedepend,
1099          ac-tools/Make.conf.in, ac-tools/aclocal.m4, ac-tools/config.guess,
1100          ac-tools/config.sub, ac-tools/configure.in, ac-tools/fortran90.m4,
1101 <        ac-tools/install-sh, ac-tools/shtool: Import of OOPSE v. 2.0
1101 >        ac-tools/install-sh, ac-tools/shtool, doc/OOPSE.pdf,
1102 >        forceFields/Al.VC.funcfl, forceFields/Au.VC.funcfl,
1103 >        forceFields/Au.u3.funcfl, forceFields/LJFF.frc,
1104 >        forceFields/Ni.VC.funcfl, forceFields/Pd.u3.funcfl,
1105 >        forceFields/Pt.VC.funcfl: Import of OOPSE v. 2.0
1106  
1107   2004-09-23 23:16  gezelter
1108  
1109          * AUTHORS, ChangeLog, LICENSE, Makefile, README, configure,
1110 +        src/Makefile, src/config.h.in, src/constraints/AbstractClasses.hpp,
1111 +        src/constraints/Makefile, src/constraints/ZConstraint.cpp,
1112 +        src/UseTheForce/DUFF.cpp, src/UseTheForce/EAM_FF.cpp,
1113 +        src/UseTheForce/ForceFields.cpp, src/UseTheForce/ForceFields.hpp,
1114 +        src/UseTheForce/LJFF.cpp, src/UseTheForce/Makefile,
1115 +        src/UseTheForce/WATER.cpp, src/UseTheForce/do_Forces.F90,
1116 +        src/UseTheForce/fForceField.h,
1117 +        src/UseTheForce/fSwitchingFunction.h,
1118 +        src/UseTheForce/fortranWrapDefines.hpp,
1119 +        src/UseTheForce/fortranWrappers.cpp,
1120 +        src/UseTheForce/fortranWrappers.hpp,
1121 +        src/UseTheForce/mpiComponentPlan.h,
1122 +        src/UseTheForce/mpiForceField.c, src/UseTheForce/mpiForceField.h,
1123 +        src/UseTheForce/mpiSimulation_module.F90,
1124 +        src/UseTheForce/wrappers.F90, src/UseTheForce/DarkSide/Makefile,
1125 +        src/UseTheForce/DarkSide/atype_module.F90,
1126 +        src/UseTheForce/DarkSide/calc_LJ_FF.F90,
1127 +        src/UseTheForce/DarkSide/calc_charge_charge.F90,
1128 +        src/UseTheForce/DarkSide/calc_dipole_dipole.F90,
1129 +        src/UseTheForce/DarkSide/calc_eam.F90,
1130 +        src/UseTheForce/DarkSide/calc_gb.F90,
1131 +        src/UseTheForce/DarkSide/calc_reaction_field.F90,
1132 +        src/UseTheForce/DarkSide/calc_sticky_pair.F90,
1133 +        src/UseTheForce/DarkSide/force_globals.F90,
1134 +        src/UseTheForce/DarkSide/neighborLists.F90,
1135 +        src/UseTheForce/DarkSide/notifyCutoffs.F90,
1136 +        src/UseTheForce/DarkSide/switch_module.F90,
1137 +        src/io/BASS_interface.h, src/io/BASS_parse.c, src/io/BASS_parse.h,
1138 +        src/io/BASSlex.l, src/io/BASSyacc.y, src/io/DumpReader.cpp,
1139 +        src/io/DumpWriter.cpp, src/io/Globals.cpp,
1140 +        src/io/InitializeFromFile.cpp, src/io/LinkedAssign.hpp,
1141 +        src/io/LinkedCommand.cpp, src/io/LinkedCommand.hpp,
1142 +        src/io/Makefile, src/io/ReadWrite.hpp, src/io/StatWriter.cpp,
1143 +        src/io/ZConsReader.hpp, src/io/ZConsWriter.cpp,
1144 +        src/io/ZConsWriter.hpp, src/io/interface.c, src/io/make_nodes.c,
1145 +        src/io/make_nodes.h, src/io/mpiBASS.c, src/io/mpiBASS.h,
1146 +        src/io/node_list.h, src/io/parse_interface.h, src/io/parse_me.h,
1147 +        src/io/parse_tree.c, src/io/parse_tree.h, src/types/AtomStamp.cpp,
1148 +        src/types/AtomStamp.hpp, src/types/BendStamp.cpp,
1149 +        src/types/BendStamp.hpp, src/types/BondStamp.cpp,
1150 +        src/types/BondStamp.hpp, src/types/Component.cpp,
1151 +        src/types/Component.hpp, src/types/CutoffGroupStamp.cpp,
1152 +        src/types/CutoffGroupStamp.hpp, src/types/MakeStamps.cpp,
1153 +        src/types/MakeStamps.hpp, src/types/Makefile,
1154 +        src/types/MoleculeStamp.cpp, src/types/MoleculeStamp.hpp,
1155 +        src/types/RigidBodyStamp.cpp, src/types/RigidBodyStamp.hpp,
1156 +        src/types/TorsionStamp.cpp, src/types/TorsionStamp.hpp,
1157 +        src/types/ZconStamp.cpp, src/types/ZconStamp.hpp,
1158 +        src/applications/simpleBuilderCmd.h, src/brains/Exclude.cpp,
1159 +        src/brains/Exclude.hpp, src/brains/ForceFields.cpp,
1160 +        src/brains/Makedepend, src/brains/Makefile, src/brains/SimInfo.cpp,
1161 +        src/brains/SimInfo.hpp, src/brains/SimSetup.cpp,
1162 +        src/brains/SimSetup.hpp, src/brains/SimState.cpp,
1163 +        src/brains/SimState.hpp, src/brains/SkipList.cpp,
1164 +        src/brains/SkipList.hpp, src/brains/Thermo.cpp,
1165 +        src/brains/Thermo.hpp, src/brains/fSimulation.h,
1166 +        src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp,
1167 +        src/brains/simulation_module.F90, src/io/BASS_interface.cpp,
1168 +        src/io/Globals.hpp, src/io/LinkedAssign.cpp,
1169 +        src/io/ZConsReader.cpp, src/math/Euler3.cpp, src/math/Euler3.hpp,
1170 +        src/math/Makefile, src/math/MatVec3.c, src/math/MatVec3.h,
1171 +        src/math/mt19937ar.c, src/math/randomSPRNG.cpp,
1172 +        src/math/randomSPRNG.hpp, src/minimizers/CGFamilyMinimizer.cpp,
1173 +        src/minimizers/Makefile, src/minimizers/MinimizerParameterSet.hpp,
1174 +        src/minimizers/OOPSEMinimizer.cpp,
1175 +        src/minimizers/OOPSEMinimizer.hpp, src/minimizers/PRCG.cpp,
1176 +        src/minimizers/SDMinimizer.cpp, src/primitives/AbstractClasses.hpp,
1177 +        src/primitives/Atom.cpp, src/primitives/Atom.hpp,
1178 +        src/primitives/Bend.cpp, src/primitives/BendExtensions.cpp,
1179 +        src/primitives/Bond.cpp, src/primitives/BondExtensions.cpp,
1180 +        src/primitives/CutoffGroup.hpp, src/primitives/DirectionalAtom.cpp,
1181 +        src/primitives/DirectionalAtom.hpp, src/primitives/GhostBend.cpp,
1182 +        src/primitives/Makefile, src/primitives/Molecule.cpp,
1183 +        src/primitives/Molecule.hpp, src/primitives/RigidBody.cpp,
1184 +        src/primitives/RigidBody.hpp, src/primitives/SRI.hpp,
1185 +        src/primitives/StuntDouble.cpp, src/primitives/StuntDouble.hpp,
1186 +        src/primitives/Torsion.cpp, src/primitives/TorsionExtensions.cpp,
1187 +        src/restraints/Makefile, src/restraints/Restraints.cpp,
1188 +        src/restraints/Restraints.hpp, src/utils/GenericData.cpp,
1189 +        src/utils/GenericData.hpp, src/utils/Makefile,
1190 +        src/utils/StreamTokenizer.cpp, src/utils/StreamTokenizer.hpp,
1191 +        src/utils/StringUtils.c, src/utils/StringUtils.cpp,
1192 +        src/utils/StringUtils.h, src/utils/StringUtils.hpp,
1193 +        src/utils/TypeInfo.hpp, src/utils/Utility.cpp,
1194 +        src/utils/Utility.hpp, src/utils/definitions_module.F90,
1195 +        src/utils/fError.c, src/utils/oopseMPI_module.F90,
1196 +        src/utils/simError.c, src/utils/simError.h,
1197 +        src/utils/status_module.F90, src/utils/vector_class.F90,
1198 +        src/visitors/AtomVisitor.cpp, src/visitors/AtomVisitor.hpp,
1199 +        src/visitors/BaseVisitor.hpp, src/visitors/CompositeVisitor.cpp,
1200 +        src/visitors/CompositeVisitor.hpp, src/visitors/Makefile,
1201 +        src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
1202 +        src/visitors/RigidBodyVisitor.cpp,
1203 +        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
1204 +        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
1205 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
1206 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
1207 +        samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
1208 +        samples/metals/Au_nanoparticle.md, samples/metals/Makefile.in,
1209 +        samples/zcons/Makefile.in, samples/zcons/water.md,
1210 +        samples/zcons/zconsFixed.in, samples/zcons/zconsFixed.md,
1211 +        samples/zcons/zconsMoving.in, samples/zcons/zconsMoving.md,
1212 +        src/applications/BaseLattice.cpp, src/applications/BaseLattice.hpp,
1213 +        src/applications/Dump2XYZ.cpp, src/applications/Dump2XYZ.ggo,
1214 +        src/applications/Dump2XYZCmd.c, src/applications/Dump2XYZCmd.h,
1215 +        src/applications/Lattice.cpp, src/applications/Lattice.hpp,
1216 +        src/applications/LatticeCreator.cpp,
1217 +        src/applications/LatticeCreator.hpp,
1218 +        src/applications/LatticeFactory.cpp,
1219 +        src/applications/LatticeFactory.hpp, src/applications/Makedepend,
1220 +        src/applications/Makefile, src/applications/MoLocator.cpp,
1221 +        src/applications/MoLocator.hpp, src/applications/Vector3d.hpp,
1222 +        src/applications/cmdline.c, src/applications/cmdline.h,
1223 +        src/applications/getopt.c, src/applications/getopt1.c,
1224 +        src/applications/gnugetopt.h, src/applications/nanoBuilder.cpp,
1225 +        src/applications/nanoBuilder.hpp, src/applications/oopse.cpp,
1226 +        src/applications/quickLate.c, src/applications/simpleBuilder.cpp,
1227 +        src/applications/simpleBuilder.ggo,
1228 +        src/applications/simpleBuilderCmd.c,
1229 +        src/integrators/AbstractClasses.hpp,
1230 +        src/integrators/AllIntegrator.hpp, src/integrators/Integrator.cpp,
1231 +        src/integrators/Integrator.hpp, src/integrators/Makefile,
1232 +        src/integrators/NPT.cpp, src/integrators/NPTf.cpp,
1233 +        src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp,
1234 +        src/integrators/NVT.cpp, src/profiling/Makefile,
1235 +        src/profiling/mdProfile.cpp, src/profiling/mdProfile.hpp,
1236 +        src/profiling/timing.F90, samples/metals/Au_bulk.in,
1237 +        samples/metals/Au_nanoparticle.in, samples/metals/metals.md,
1238 +        samples/water/Makefile.in, samples/water/dimer/Makefile.in,
1239 +        samples/water/dimer/two.in, samples/water/dimer/two.md,
1240 +        samples/water/dimer/water.md, samples/water/spce/Makefile.in,
1241 +        samples/water/spce/spce.in, samples/water/spce/spce.md,
1242 +        samples/water/spce/water.md, samples/water/ssde/Makefile.in,
1243 +        samples/water/ssde/ssde.in, samples/water/ssde/ssde.md,
1244 +        samples/water/ssde/water.md, samples/water/tip3p_ice/Makefile.in,
1245 +        samples/water/tip3p_ice/tp3.in, samples/water/tip3p_ice/tp3.md,
1246 +        samples/water/tip3p_ice/water.md, samples/water/ssd/Makefile.in,
1247 +        samples/water/ssd/ssd.in, samples/water/ssd/ssd.md,
1248 +        samples/water/ssd/water.md, samples/water/tip4p/tp4.in,
1249 +        samples/water/tip4p/tp4.md, samples/water/tip4p/water.md,
1250 +        samples/alkane/Makefile.in, samples/alkane/alkanes.md,
1251 +        samples/alkane/butane.in, samples/alkane/butane.md,
1252 +        samples/argon/500.in, samples/argon/500.md,
1253 +        samples/argon/Makefile.in, samples/argon/ar864.in,
1254 +        samples/argon/ar864.md, samples/argon/argonNVT.in,
1255 +        samples/argon/argonNVT.md, samples/argon/lj.md,
1256 +        samples/lipid/5x5.in, samples/lipid/5x5.md,
1257 +        samples/lipid/Makefile.in, samples/lipid/lipid.md,
1258 +        samples/lipid/water.md, samples/minimizer/Makefile.in,
1259 +        samples/minimizer/WATER.frc, samples/minimizer/ssdEM.in,
1260 +        samples/minimizer/ssdEM.md, samples/minimizer/tip4p_two.in,
1261 +        samples/minimizer/tip4p_two.md, samples/minimizer/water.md,
1262 +        samples/water/tip4p/Makefile.in, forceFields/Ag.VC.funcfl,
1263 +        forceFields/Ag.u3.funcfl, forceFields/Ag.u6.funcfl,
1264 +        forceFields/Au.u6.funcfl, forceFields/Cu.VC.funcfl,
1265 +        forceFields/Cu.u3.funcfl, forceFields/Cu.u6.funcfl,
1266 +        forceFields/DUFF.frc, forceFields/DipoleTest.frc,
1267 +        forceFields/EAM.VC.frc, forceFields/EAM.frc,
1268 +        forceFields/EAM.u3.frc, forceFields/EAM.u6.frc,
1269 +        forceFields/Makefile.in, forceFields/Ni.u3.funcfl,
1270 +        forceFields/Ni.u6.funcfl, forceFields/Pd.VC.funcfl,
1271 +        forceFields/Pd.u6.funcfl, forceFields/Pt.u3.funcfl,
1272 +        forceFields/Pt.u6.funcfl, forceFields/WATER.frc, scripts/cleanSrc,
1273 +        scripts/cvs2cl.pl, scripts/makers, scripts/sfmakedepend,
1274          ac-tools/Make.conf.in, ac-tools/aclocal.m4, ac-tools/config.guess,
1275          ac-tools/config.sub, ac-tools/configure.in, ac-tools/fortran90.m4,
1276 <        ac-tools/install-sh, ac-tools/shtool: Initial revision
1276 >        ac-tools/install-sh, ac-tools/shtool, doc/OOPSE.pdf,
1277 >        forceFields/Al.VC.funcfl, forceFields/Au.VC.funcfl,
1278 >        forceFields/Au.u3.funcfl, forceFields/LJFF.frc,
1279 >        forceFields/Ni.VC.funcfl, forceFields/Pd.u3.funcfl,
1280 >        forceFields/Pt.VC.funcfl: Initial revision
1281  

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