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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 1625 by tim, Thu Oct 21 16:22:01 2004 UTC

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

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