ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE-3.0/ChangeLog
(Generate patch)

Comparing trunk/OOPSE-3.0/ChangeLog (file contents):
Revision 1593 by gezelter, Wed Oct 6 21:27:02 2004 UTC vs.
Revision 1594 by tim, Mon Oct 18 23:13:23 2004 UTC

# Line 1 | Line 1
1 + 2004-10-16 20:19  tim
2 +
3 +        * src/math/: Quaternion.hpp, RectMatrix.hpp, SquareMatrix.hpp,
4 +        SquareMatrix3.hpp, Vector.hpp, Vector3.hpp: math library in
5 +        progress
6 +
7 + 2004-10-15 20:31  tim
8 +
9 +        * src/math/Quaternion.hpp: add quaternion class
10 +
11 + 2004-10-15 16:11  tim
12 +
13 +        * test/io/: DUFF.frc, IfstrstreamTestCase.cpp,
14 +        IfstrstreamTestCase.hpp: adding test file
15 +
16 + 2004-10-15 16:10  tim
17 +
18 +        * src/io/basic_ifstrstream.hpp: fix a bunch of bugs
19 +
20 + 2004-10-15 15:42  tim
21 +
22 +        * src/io/basic_ifstrstream.hpp: change const_cast to statc_const
23 +
24 + 2004-10-15 15:35  tim
25 +
26 +        * src/io/basic_ifstrstream.hpp: fix a bug in basic_ifstrstream.hpp
27 +
28 + 2004-10-15 15:34  tim
29 +
30 +        * test/io/: IfstrstreamTestCase.cpp, Makefile: forget to use
31 +        namespace oopse
32 +
33 + 2004-10-15 14:38  chuckv
34 +
35 +        * configure, ac-tools/aclocal.m4: Changed optimization flags for
36 +        XLF and XLC.
37 +
38 + 2004-10-15 13:28  tim
39 +
40 +        * test/io/: IfstrstreamTestCase.cpp, IfstrstreamTestCase.hpp:
41 +        adding ifstrstream test case
42 +
43 + 2004-10-15 13:20  tim
44 +
45 +        * src/io/basic_ifstrstream.hpp: fix include
46 +
47 + 2004-10-15 13:18  tim
48 +
49 +        * src/math/SquareMatrix.hpp: fix incompatible declaration in jacobi
50 +
51 + 2004-10-15 13:17  tim
52 +
53 +        * test/math/: Makefile, RectMatrixTestCase.cpp: adding Makefile
54 +
55 + 2004-10-15 13:16  tim
56 +
57 +        * test/io/: Makefile, ifstrstreamTestCase.cpp,
58 +        ifstrstreamTestCase.hpp: adding test case for ifstrstream
59 +
60 + 2004-10-15 10:37  tim
61 +
62 +        * test/io/: IOTest.cpp, ifstrstreamTestCase.cpp,
63 +        ifstrstreamTestCase.hpp: add ifstrstreamTestCase
64 +
65 + 2004-10-15 10:20  tim
66 +
67 +        * src/io/basic_ifstrstream.hpp: add checkFilename Option
68 +
69 + 2004-10-15 10:19  tim
70 +
71 +        * test/math/: RectMatrixTestCase.cpp, RectMatrixTestCase.hpp,
72 +        SquareMatrixTestCase.cpp, SquareMatrixTestCase.hpp: add
73 +        SquareMatrixTestCase class
74 +
75 + 2004-10-15 02:52  tim
76 +
77 +        * src/io/basic_ifstrstream.hpp: adding basic_ifstrstream
78 +
79 + 2004-10-14 18:28  tim
80 +
81 +        * src/math/: RectMatrix.hpp, SquareMatrix.hpp, SquareMatrix3.hpp,
82 +        Vector.hpp: math library in progress
83 +
84 + 2004-10-14 18:27  tim
85 +
86 +        * src/io/FileReader.hpp: FileReader in progress
87 +
88 + 2004-10-13 18:53  tim
89 +
90 +        * src/math/: RectMatrix.hpp, SquareMatrix.hpp: Matrix in progress,
91 +        test in isOrthogonal of SquareMatrix is failed by some reasons
92 +
93 + 2004-10-13 17:28  tim
94 +
95 +        * src/utils/: PropertyMap.cpp, PropertyMap.hpp: adding PropertyMap
96 +        class
97 +
98 + 2004-10-13 17:27  tim
99 +
100 +        * test/math/: MainTest.cpp, RectMatrixTestCase.cpp,
101 +        RectMatrixTestCase.hpp: adding testing unit
102 +
103 + 2004-10-13 17:24  tim
104 +
105 +        * src/math/: RectMatrix.hpp, Vector.hpp: adding RectMatrix
106 +
107 + 2004-10-13 01:51  tim
108 +
109 +        * src/math/: SquareMatrix.hpp, SquareMatrix3.hpp, Vector.hpp,
110 +        Vector3.hpp: refactory vector and matrix classes
111 +
112 + 2004-10-13 01:50  tim
113 +
114 +        * src/math/Vector3d.hpp: Remove some Makefile.in
115 +
116 + 2004-10-12 18:57  tim
117 +
118 +        * src/math/: Matrix3x3d.hpp, Vector3d.hpp: add Vector3d.hpp and
119 +        Matrix3x3d.hpp
120 +
121 + 2004-10-12 14:08  tim
122 +
123 +        * doc/: cppstyle.html, style.css: adding c++ coding style
124 +
125 + 2004-10-11 17:15  tim
126 +
127 +        * src/: constraints/AbstractClasses.hpp,
128 +        integrators/AbstractClasses.hpp, primitives/AbstractClasses.hpp:
129 +        change #include "mpi.h" to #include <mpi.h> in AbstractClasses.hpp
130 +
131 + 2004-10-11 16:54  tim
132 +
133 +        * scripts/filepp: fix a bug in filepp
134 +
135 + 2004-10-11 16:13  tim
136 +
137 +        * make/Makefile.in: using filepp to generate dependencies instead
138 +        of compilers
139 +
140 + 2004-10-11 16:10  tim
141 +
142 +        * scripts/filepp: filepp can be used to generate dependencies for
143 +        c/c++ now
144 +
145 + 2004-10-11 13:40  tim
146 +
147 +        * make/Makefile.in: remove -module from F90Options
148 +
149 + 2004-10-11 13:01  tim
150 +
151 +        * make/Makefile.in: adding rules to move fortran 90 module to
152 +        target directory
153 +
154 + 2004-10-11 10:43  gezelter
155 +
156 +        * make/Makefile.in: fixed makefile.in
157 +
158 + 2004-10-11 09:51  tim
159 +
160 +        * scripts/filepp: remove "use bytes" which causes problem in sgi
161 +        machine
162 +
163 + 2004-10-11 09:26  tim
164 +
165 +        * forceFields/Makefile: add Makefile
166 +
167 + 2004-10-11 09:23  tim
168 +
169 +        * samples/: water/dimer/Makefile, water/spce/Makefile,
170 +        water/ssd/Makefile, water/ssde/Makefile, water/tip3p_ice/Makefile,
171 +        water/tip4p/Makefile, zcons/Makefile: fix Makefile under water
172 +        directory
173 +
174 + 2004-10-11 09:23  tim
175 +
176 +        * samples/argon/Makefile: remove argon.dump and argon.eor from
177 +        Makefile
178 +
179 + 2004-10-09 01:01  tim
180 +
181 +        * samples/: alkane/Makefile.in, argon/Makefile.in,
182 +        lipid/Makefile.in, metals/Makefile.in, minimizer/Makefile.in:
183 +        Remove some Makefile.in
184 +
185 + 2004-10-08 18:15  tim
186 +
187 +        * make/Makefile.in: [no log message]
188 +
189 + 2004-10-08 17:51  tim
190 +
191 +        * make/Makefile.in: fix make install
192 +
193 + 2004-10-08 17:10  tim
194 +
195 +        * make/Makefile.in: adding make install
196 +
197 + 2004-10-08 17:04  tim
198 +
199 +        * samples/: alkane/Makefile, argon/Makefile, lipid/Makefile,
200 +        metals/Makefile, minimizer/Makefile, water/Makefile.in,
201 +        water/dimer/Makefile, water/dimer/Makefile.in, water/spce/Makefile,
202 +        water/spce/Makefile.in, water/ssd/Makefile, water/ssd/Makefile.in,
203 +        water/ssde/Makefile, water/ssde/Makefile.in,
204 +        water/tip3p_ice/Makefile, water/tip3p_ice/Makefile.in,
205 +        water/tip4p/Makefile, water/tip4p/Makefile.in, zcons/Makefile,
206 +        zcons/Makefile.in: add Makefile to sample directory
207 +
208 + 2004-10-06 18:03  gezelter
209 +
210 +        * src/utils/: getopt.c, getopt1.c, gnugetopt.h: moved the getopt
211 +        stuff
212 +
213 + 2004-10-06 18:03  gezelter
214 +
215 +        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
216 +        make/Doxyfile, src/applications/getopt.c,
217 +        src/applications/getopt1.c, src/applications/gnugetopt.h: more
218 +        build fixes
219 +
220 + 2004-10-06 17:20  tim
221 +
222 +        * make/: Doxyfile, Makefile.in: adding doxygen configuration file
223 +
224 + 2004-10-06 17:19  tim
225 +
226 +        * scripts/filepp: filepp can handle different fortran module case
227 +        and suffix
228 +
229 + 2004-10-06 16:27  gezelter
230 +
231 +        * src/restraints/Restraints.cpp: Chris doesn't know about the
232 +        OOPSE-2.0 directory structure yet
233 +
234 + 2004-10-06 16:27  gezelter
235 +
236 +        * ChangeLog: Yeah yeah, we'lll get around to it later
237 +
238   2004-10-06 16:22  gezelter
239  
240 <        * configure, ac-tools/configure.in, ac-tools/fortran90.m4: cleaning
241 <        up build process
240 >        * configure, ac-tools/configure.in, ac-tools/fortran90.m4,
241 >        make/Makefile.in: cleaning up build process
242  
243 + 2004-10-06 15:01  chrisfen
244 +
245 +        * src/restraints/Restraints.cpp: made the file reading in
246 +        restraints more intelligent - no longer gives uninformative seg
247 +        faults
248 +
249 + 2004-10-06 14:55  gezelter
250 +
251 +        * src/applications/simpleBuilder/Make.ftemp.old: cleaning up
252 +
253   2004-10-06 14:51  gezelter
254  
255 <        * LICENSE, MPIobj/dummy: Cleaning up a bit
255 >        * LICENSE, MPIobj/dummy, make/Makefile, obj/dummy,
256 >        scripts/cleanSrc, src/brains/Makedepend: Cleaning up a bit
257  
258 + 2004-10-06 13:53  tim
259 +
260 +        * make/: Makefile, Makefile.in: fix make statistics
261 +
262 + 2004-10-06 13:18  tim
263 +
264 +        * make/: Makefile, Makefile.in: adding GNU make functions to
265 +        combine all of the static libraries to a big library
266 +
267 + 2004-10-05 17:57  tim
268 +
269 +        * make/: Makefile, Makefile.in:  adding shared library flag
270 +
271 + 2004-10-05 14:37  tim
272 +
273 +        * src/: Makefile, UseTheForce/Makefile,
274 +        UseTheForce/mpiSimulation_module.F90,
275 +        UseTheForce/DarkSide/Makefile,
276 +        UseTheForce/DarkSide/mpiSimulation_module.F90, math/Makefile: move
277 +        mpiSimulation_module to DarkSide
278 +
279 + 2004-10-05 14:35  tim
280 +
281 +        * make/: Makefile, Makefile.in: building MPI version;using static
282 +        library instead of shared library
283 +
284 + 2004-10-05 09:14  tim
285 +
286 +        * make/: Makefile, Makefile.in: pass __FORTRAN90 instead of __F90
287 +        to filepp
288 +
289 + 2004-10-04 15:56  tim
290 +
291 +        * make/: Makefile, Makefile.in: add make cvslog
292 +
293 + 2004-10-04 11:24  gezelter
294 +
295 +        * make/: Makefile, Makefile.in: more work on the parallel build
296 +
297 + 2004-10-04 11:06  gezelter
298 +
299 +        * make/: Makefile, Makefile.in: changes to backport declare flags
300 +
301 + 2004-10-04 10:27  gezelter
302 +
303 +        * src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp,
304 +        DarkSide/Makefile, DarkSide/calc_shapes.F90: Started work merging
305 +        shapes
306 +
307 + 2004-10-01 23:40  tim
308 +
309 +        * scripts/: filepp, sfmakedepend: remove sfmakedepend from cvs tree
310 +
311 + 2004-10-01 23:22  tim
312 +
313 +        * make/: Makefile, Makefile.in: add oopse_ as library prefix
314 +
315 + 2004-10-01 16:59  tim
316 +
317 +        * make/: Makefile, Makefile.in: fix a space trimming bug in filepp
318 +
319   2004-10-01 16:22  gezelter
320  
321 <        * Makefile, ac-tools/aclocal.m4: A few minor build changes
321 >        * Makefile, ac-tools/aclocal.m4, make/Makefile, make/Makefile.in: A
322 >        few minor build changes
323  
324 + 2004-10-01 16:11  tim
325 +
326 +        * scripts/filepp: adding fortran90 make dependency tool
327 +
328 + 2004-09-30 10:41  tim
329 +
330 +        * make/: Makefile, Makefile.in: make clean is smart enough to only
331 +        remove object files belong to current package.  turn off silent
332 +        mode
333 +
334 + 2004-09-29 16:55  tim
335 +
336 +        * src/: Makefile, UseTheForce/Makefile,
337 +        UseTheForce/DarkSide/Makefile, applications/dump2Xyz/Makefile,
338 +        applications/oopse/Makefile, applications/simpleBuilder/Makefile,
339 +        brains/Makedepend, brains/Makefile, constraints/Makefile,
340 +        integrators/Makefile, io/Makefile, math/Makefile,
341 +        minimizers/Makefile, primitives/Makefile, profiling/Makefile,
342 +        restraints/Makefile, types/Makefile, utils/Makefile,
343 +        visitors/Makefile: define DEV_ROOT as relative path
344 +
345 + 2004-09-29 16:54  tim
346 +
347 +        * make/: Makefile, Makefile.in: get the relative path by shell
348 +        script
349 +
350 + 2004-09-29 16:32  tim
351 +
352 +        * make/Makefile: eliminate DEV_ROOT by relative path
353 +
354 + 2004-09-29 13:37  tim
355 +
356 +        * make/Makefile.in: add PackageLibs;  fix dependency rule
357 +
358   2004-09-29 12:57  gezelter
359  
360          * configure, ac-tools/configure.in: updates
361  
362 + 2004-09-29 12:56  gezelter
363 +
364 +        * make/: Make.conf.in, Makefile.in, _files/style.css: Working on
365 +        make stuff
366 +
367   2004-09-29 12:46  tim
368  
369          * Makefile: If makefile does not exist, print error message
370  
371 + 2004-09-29 12:12  tim
372 +
373 +        * make/: Make.conf.in, Makefile: fix dependencies rule
374 +
375   2004-09-29 10:58  gezelter
376  
377 <        * Makefile: still working on build process
377 >        * Makefile, make/Makefile: still working on build process
378  
379 + 2004-09-29 10:00  tim
380 +
381 +        * make/Makefile: add print statment to rules
382 +
383 + 2004-09-29 09:59  tim
384 +
385 +        * src/: UseTheForce/Makefile, UseTheForce/DarkSide/Makefile,
386 +        applications/dump2Xyz/Makefile, applications/oopse/Makefile,
387 +        applications/simpleBuilder/Makefile, brains/Makefile,
388 +        constraints/Makefile, integrators/Makefile, io/Makefile,
389 +        math/Makefile, minimizers/Makefile, primitives/Makefile,
390 +        profiling/Makefile, restraints/Makefile, types/Makefile,
391 +        utils/Makefile, visitors/Makefile: change Makefile to relative path
392 +
393 + 2004-09-28 21:55  tim
394 +
395 +        * src/utils/: StringUtils.c, StringUtils.h: remove StringUtils.c
396 +        which cause headache in bulding libutils
397 +
398 + 2004-09-28 18:24  tim
399 +
400 +        * src/applications/: BaseLattice.cpp, BaseLattice.hpp,
401 +        Dump2XYZ.cpp, Dump2XYZ.ggo, Dump2XYZCmd.c, Dump2XYZCmd.h,
402 +        Lattice.cpp, Lattice.hpp, LatticeCreator.cpp, LatticeCreator.hpp,
403 +        LatticeFactory.cpp, LatticeFactory.hpp, MoLocator.cpp,
404 +        MoLocator.hpp, Vector3d.hpp, cmdline.c, cmdline.h, nanoBuilder.cpp,
405 +        nanoBuilder.hpp, oopse.cpp, simpleBuilder.cpp, simpleBuilder.ggo,
406 +        simpleBuilderCmd.c, simpleBuilderCmd.h, dump2Xyz/Dump2XYZ.cpp,
407 +        dump2Xyz/Dump2XYZ.ggo, dump2Xyz/Dump2XYZCmd.c,
408 +        dump2Xyz/Dump2XYZCmd.h, dump2Xyz/Makefile, oopse/Makefile,
409 +        oopse/oopse.cpp, simpleBuilder/BaseLattice.cpp,
410 +        simpleBuilder/BaseLattice.hpp, simpleBuilder/Lattice.cpp,
411 +        simpleBuilder/Lattice.hpp, simpleBuilder/LatticeCreator.cpp,
412 +        simpleBuilder/LatticeCreator.hpp, simpleBuilder/LatticeFactory.cpp,
413 +        simpleBuilder/LatticeFactory.hpp, simpleBuilder/Make.ftemp.old,
414 +        simpleBuilder/Makefile, simpleBuilder/MoLocator.cpp,
415 +        simpleBuilder/MoLocator.hpp, simpleBuilder/Vector3d.hpp,
416 +        simpleBuilder/simpleBuilder.cpp, simpleBuilder/simpleBuilder.ggo,
417 +        simpleBuilder/simpleBuilderCmd.c, simpleBuilder/simpleBuilderCmd.h:
418 +        change directory structure of application. Every executable file is
419 +        replaced in seperate directory
420 +
421 + 2004-09-28 17:15  gezelter
422 +
423 +        * lib/dummy: Keep that lib around, please.
424 +
425   2004-09-28 17:14  gezelter
426  
427 <        * Makefile, configure, ac-tools/configure.in: starting a configure
428 <        version
427 >        * Makefile, configure, ac-tools/configure.in, make/Make.conf.in:
428 >        starting a configure version
429  
430 + 2004-09-28 16:08  tim
431 +
432 +        * src/: UseTheForce/Makefile, UseTheForce/notifyCutoffs.F90,
433 +        UseTheForce/DarkSide/Makefile,
434 +        UseTheForce/DarkSide/notifyCutoffs.F90,
435 +        UseTheForce/DarkSide/simulation_module.F90, brains/Makedepend,
436 +        brains/Makefile, brains/simulation_module.F90: move fortran files
437 +        around to solve dependency problem
438 +
439   2004-09-28 15:43  tim
440  
441 <        * Makefile: [no log message]
441 >        * Makefile, src/UseTheForce/ForceFields.hpp,
442 >        src/UseTheForce/Makefile, src/applications/BaseLattice.hpp,
443 >        src/applications/Makedepend, src/applications/Makefile,
444 >        src/brains/Makedepend, src/brains/simulation_module.F90,
445 >        src/integrators/AllIntegrator.hpp, src/math/Euler3.cpp,
446 >        src/math/Makefile, src/minimizers/OOPSEMinimizer.cpp,
447 >        src/utils/Makefile: [no log message]
448  
449 + 2004-09-28 15:41  tim
450 +
451 +        * make/Makefile, scripts/sfmakedepend: fix fortran dependency
452 +        problem
453 +
454 + 2004-09-28 11:13  tim
455 +
456 +        * make/Makefile, src/io/BASSlex.l, src/io/BASSyacc.y,
457 +        src/io/Makefile: add yacc and lex rules
458 +
459 + 2004-09-27 15:24  tim
460 +
461 +        * make/Makefile: adding include path to F90Options
462 +
463 + 2004-09-27 15:13  tim
464 +
465 +        * make/Makefile: change suffix from .cc to .cpp
466 +
467 + 2004-09-24 11:27  tim
468 +
469 +        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
470 +        UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
471 +        UseTheForce/LJFF.cpp, UseTheForce/WATER.cpp,
472 +        UseTheForce/do_Forces.F90, UseTheForce/fortranWrapDefines.hpp,
473 +        UseTheForce/fortranWrappers.cpp, UseTheForce/fortranWrappers.hpp,
474 +        UseTheForce/mpiForceField.c, UseTheForce/mpiSimulation_module.F90,
475 +        UseTheForce/DarkSide/calc_LJ_FF.F90,
476 +        UseTheForce/DarkSide/notifyCutoffs.F90,
477 +        UseTheForce/DarkSide/switch_module.F90,
478 +        applications/BaseLattice.cpp, applications/Dump2XYZ.cpp,
479 +        applications/Dump2XYZCmd.c, applications/Lattice.cpp,
480 +        applications/Lattice.hpp, applications/LatticeCreator.cpp,
481 +        applications/LatticeCreator.hpp, applications/LatticeFactory.cpp,
482 +        applications/MoLocator.cpp, applications/MoLocator.hpp,
483 +        applications/cmdline.c, applications/nanoBuilder.cpp,
484 +        applications/oopse.cpp, applications/simpleBuilder.cpp,
485 +        applications/simpleBuilderCmd.c, brains/Exclude.cpp,
486 +        brains/ForceFields.cpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
487 +        brains/SimSetup.cpp, brains/SimSetup.hpp, brains/SimState.cpp,
488 +        brains/SkipList.cpp, brains/Thermo.cpp, brains/Thermo.hpp,
489 +        brains/mpiSimulation.cpp, brains/mpiSimulation.hpp,
490 +        constraints/AbstractClasses.hpp, constraints/ZConstraint.cpp,
491 +        integrators/AbstractClasses.hpp, integrators/Integrator.cpp,
492 +        integrators/Integrator.hpp, integrators/NPT.cpp,
493 +        integrators/NPTf.cpp, integrators/NPTi.cpp, integrators/NPTxyz.cpp,
494 +        integrators/NVT.cpp, io/BASS_interface.cpp, io/BASS_parse.c,
495 +        io/DumpReader.cpp, io/DumpWriter.cpp, io/Globals.cpp,
496 +        io/Globals.hpp, io/InitializeFromFile.cpp, io/LinkedAssign.cpp,
497 +        io/LinkedCommand.cpp, io/ReadWrite.hpp, io/StatWriter.cpp,
498 +        io/ZConsReader.cpp, io/ZConsReader.hpp, io/ZConsWriter.cpp,
499 +        io/ZConsWriter.hpp, io/interface.c, io/make_nodes.c,
500 +        io/make_nodes.h, io/mpiBASS.c, io/mpiBASS.h, io/parse_interface.h,
501 +        io/parse_tree.c, io/parse_tree.h, math/Euler3.cpp, math/MatVec3.c,
502 +        math/MatVec3.h, math/randomSPRNG.cpp,
503 +        minimizers/CGFamilyMinimizer.cpp, minimizers/OOPSEMinimizer.cpp,
504 +        minimizers/OOPSEMinimizer.hpp, minimizers/PRCG.cpp,
505 +        minimizers/SDMinimizer.cpp, primitives/AbstractClasses.hpp,
506 +        primitives/Atom.cpp, primitives/Atom.hpp, primitives/Bend.cpp,
507 +        primitives/BendExtensions.cpp, primitives/Bond.cpp,
508 +        primitives/BondExtensions.cpp, primitives/CutoffGroup.hpp,
509 +        primitives/DirectionalAtom.cpp, primitives/DirectionalAtom.hpp,
510 +        primitives/GhostBend.cpp, primitives/Molecule.cpp,
511 +        primitives/Molecule.hpp, primitives/RigidBody.cpp,
512 +        primitives/RigidBody.hpp, primitives/SRI.hpp,
513 +        primitives/StuntDouble.cpp, primitives/StuntDouble.hpp,
514 +        primitives/Torsion.cpp, primitives/TorsionExtensions.cpp,
515 +        profiling/mdProfile.cpp, restraints/Restraints.cpp,
516 +        restraints/Restraints.hpp, types/AtomStamp.cpp,
517 +        types/AtomStamp.hpp, types/BendStamp.cpp, types/BendStamp.hpp,
518 +        types/BondStamp.cpp, types/BondStamp.hpp, types/Component.cpp,
519 +        types/CutoffGroupStamp.cpp, types/CutoffGroupStamp.hpp,
520 +        types/MakeStamps.cpp, types/MakeStamps.hpp,
521 +        types/MoleculeStamp.cpp, types/MoleculeStamp.hpp,
522 +        types/RigidBodyStamp.cpp, types/RigidBodyStamp.hpp,
523 +        types/TorsionStamp.cpp, types/TorsionStamp.hpp,
524 +        types/ZconStamp.cpp, types/ZconStamp.hpp, utils/GenericData.cpp,
525 +        utils/StreamTokenizer.cpp, utils/StringUtils.c,
526 +        utils/StringUtils.cpp, utils/Utility.cpp, utils/fError.c,
527 +        utils/simError.c, visitors/AtomVisitor.cpp,
528 +        visitors/AtomVisitor.hpp, visitors/CompositeVisitor.cpp,
529 +        visitors/CompositeVisitor.hpp, visitors/OtherVisitor.cpp,
530 +        visitors/OtherVisitor.hpp, visitors/RigidBodyVisitor.cpp,
531 +        visitors/RigidBodyVisitor.hpp, visitors/ZconsVisitor.cpp,
532 +        visitors/ZconsVisitor.hpp: change the #include in source files
533 +
534   2004-09-23 23:16  gezelter
535  
536          * AUTHORS, ChangeLog, LICENSE, Makefile, README, configure,
537 +        src/Makefile, src/config.h.in, src/constraints/AbstractClasses.hpp,
538 +        src/constraints/Makefile, src/constraints/ZConstraint.cpp,
539 +        src/UseTheForce/DUFF.cpp, src/UseTheForce/EAM_FF.cpp,
540 +        src/UseTheForce/ForceFields.cpp, src/UseTheForce/ForceFields.hpp,
541 +        src/UseTheForce/LJFF.cpp, src/UseTheForce/Makefile,
542 +        src/UseTheForce/WATER.cpp, src/UseTheForce/do_Forces.F90,
543 +        src/UseTheForce/fForceField.h,
544 +        src/UseTheForce/fSwitchingFunction.h,
545 +        src/UseTheForce/fortranWrapDefines.hpp,
546 +        src/UseTheForce/fortranWrappers.cpp,
547 +        src/UseTheForce/fortranWrappers.hpp,
548 +        src/UseTheForce/mpiComponentPlan.h,
549 +        src/UseTheForce/mpiForceField.c, src/UseTheForce/mpiForceField.h,
550 +        src/UseTheForce/mpiSimulation_module.F90,
551 +        src/UseTheForce/wrappers.F90, src/UseTheForce/DarkSide/Makefile,
552 +        src/UseTheForce/DarkSide/atype_module.F90,
553 +        src/UseTheForce/DarkSide/calc_LJ_FF.F90,
554 +        src/UseTheForce/DarkSide/calc_charge_charge.F90,
555 +        src/UseTheForce/DarkSide/calc_dipole_dipole.F90,
556 +        src/UseTheForce/DarkSide/calc_eam.F90,
557 +        src/UseTheForce/DarkSide/calc_gb.F90,
558 +        src/UseTheForce/DarkSide/calc_reaction_field.F90,
559 +        src/UseTheForce/DarkSide/calc_sticky_pair.F90,
560 +        src/UseTheForce/DarkSide/force_globals.F90,
561 +        src/UseTheForce/DarkSide/neighborLists.F90,
562 +        src/UseTheForce/DarkSide/notifyCutoffs.F90,
563 +        src/UseTheForce/DarkSide/switch_module.F90,
564 +        src/io/BASS_interface.h, src/io/BASS_parse.c, src/io/BASS_parse.h,
565 +        src/io/BASSlex.l, src/io/BASSyacc.y, src/io/DumpReader.cpp,
566 +        src/io/DumpWriter.cpp, src/io/Globals.cpp,
567 +        src/io/InitializeFromFile.cpp, src/io/LinkedAssign.hpp,
568 +        src/io/LinkedCommand.cpp, src/io/LinkedCommand.hpp,
569 +        src/io/Makefile, src/io/ReadWrite.hpp, src/io/StatWriter.cpp,
570 +        src/io/ZConsReader.hpp, src/io/ZConsWriter.cpp,
571 +        src/io/ZConsWriter.hpp, src/io/interface.c, src/io/make_nodes.c,
572 +        src/io/make_nodes.h, src/io/mpiBASS.c, src/io/mpiBASS.h,
573 +        src/io/node_list.h, src/io/parse_interface.h, src/io/parse_me.h,
574 +        src/io/parse_tree.c, src/io/parse_tree.h, src/types/AtomStamp.cpp,
575 +        src/types/AtomStamp.hpp, src/types/BendStamp.cpp,
576 +        src/types/BendStamp.hpp, src/types/BondStamp.cpp,
577 +        src/types/BondStamp.hpp, src/types/Component.cpp,
578 +        src/types/Component.hpp, src/types/CutoffGroupStamp.cpp,
579 +        src/types/CutoffGroupStamp.hpp, src/types/MakeStamps.cpp,
580 +        src/types/MakeStamps.hpp, src/types/Makefile,
581 +        src/types/MoleculeStamp.cpp, src/types/MoleculeStamp.hpp,
582 +        src/types/RigidBodyStamp.cpp, src/types/RigidBodyStamp.hpp,
583 +        src/types/TorsionStamp.cpp, src/types/TorsionStamp.hpp,
584 +        src/types/ZconStamp.cpp, src/types/ZconStamp.hpp,
585 +        src/applications/simpleBuilderCmd.h, src/brains/Exclude.cpp,
586 +        src/brains/Exclude.hpp, src/brains/ForceFields.cpp,
587 +        src/brains/Makedepend, src/brains/Makefile, src/brains/SimInfo.cpp,
588 +        src/brains/SimInfo.hpp, src/brains/SimSetup.cpp,
589 +        src/brains/SimSetup.hpp, src/brains/SimState.cpp,
590 +        src/brains/SimState.hpp, src/brains/SkipList.cpp,
591 +        src/brains/SkipList.hpp, src/brains/Thermo.cpp,
592 +        src/brains/Thermo.hpp, src/brains/fSimulation.h,
593 +        src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp,
594 +        src/brains/simulation_module.F90, src/io/BASS_interface.cpp,
595 +        src/io/Globals.hpp, src/io/LinkedAssign.cpp,
596 +        src/io/ZConsReader.cpp, src/math/Euler3.cpp, src/math/Euler3.hpp,
597 +        src/math/Makefile, src/math/MatVec3.c, src/math/MatVec3.h,
598 +        src/math/mt19937ar.c, src/math/randomSPRNG.cpp,
599 +        src/math/randomSPRNG.hpp, src/minimizers/CGFamilyMinimizer.cpp,
600 +        src/minimizers/Makefile, src/minimizers/MinimizerParameterSet.hpp,
601 +        src/minimizers/OOPSEMinimizer.cpp,
602 +        src/minimizers/OOPSEMinimizer.hpp, src/minimizers/PRCG.cpp,
603 +        src/minimizers/SDMinimizer.cpp, src/primitives/AbstractClasses.hpp,
604 +        src/primitives/Atom.cpp, src/primitives/Atom.hpp,
605 +        src/primitives/Bend.cpp, src/primitives/BendExtensions.cpp,
606 +        src/primitives/Bond.cpp, src/primitives/BondExtensions.cpp,
607 +        src/primitives/CutoffGroup.hpp, src/primitives/DirectionalAtom.cpp,
608 +        src/primitives/DirectionalAtom.hpp, src/primitives/GhostBend.cpp,
609 +        src/primitives/Makefile, src/primitives/Molecule.cpp,
610 +        src/primitives/Molecule.hpp, src/primitives/RigidBody.cpp,
611 +        src/primitives/RigidBody.hpp, src/primitives/SRI.hpp,
612 +        src/primitives/StuntDouble.cpp, src/primitives/StuntDouble.hpp,
613 +        src/primitives/Torsion.cpp, src/primitives/TorsionExtensions.cpp,
614 +        src/restraints/Makefile, src/restraints/Restraints.cpp,
615 +        src/restraints/Restraints.hpp, src/utils/GenericData.cpp,
616 +        src/utils/GenericData.hpp, src/utils/Makefile,
617 +        src/utils/StreamTokenizer.cpp, src/utils/StreamTokenizer.hpp,
618 +        src/utils/StringUtils.c, src/utils/StringUtils.cpp,
619 +        src/utils/StringUtils.h, src/utils/StringUtils.hpp,
620 +        src/utils/TypeInfo.hpp, src/utils/Utility.cpp,
621 +        src/utils/Utility.hpp, src/utils/definitions_module.F90,
622 +        src/utils/fError.c, src/utils/oopseMPI_module.F90,
623 +        src/utils/simError.c, src/utils/simError.h,
624 +        src/utils/status_module.F90, src/utils/vector_class.F90,
625 +        src/visitors/AtomVisitor.cpp, src/visitors/AtomVisitor.hpp,
626 +        src/visitors/BaseVisitor.hpp, src/visitors/CompositeVisitor.cpp,
627 +        src/visitors/CompositeVisitor.hpp, src/visitors/Makefile,
628 +        src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
629 +        src/visitors/RigidBodyVisitor.cpp,
630 +        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
631 +        src/visitors/ZconsVisitor.hpp, make/Makefile,
632 +        make/_files/style.css, samples/Makefile.in,
633 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
634 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
635 +        samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
636 +        samples/metals/Au_nanoparticle.md, samples/metals/Makefile.in,
637 +        samples/zcons/Makefile.in, samples/zcons/water.md,
638 +        samples/zcons/zconsFixed.in, samples/zcons/zconsFixed.md,
639 +        samples/zcons/zconsMoving.in, samples/zcons/zconsMoving.md,
640 +        src/applications/BaseLattice.cpp, src/applications/BaseLattice.hpp,
641 +        src/applications/Dump2XYZ.cpp, src/applications/Dump2XYZ.ggo,
642 +        src/applications/Dump2XYZCmd.c, src/applications/Dump2XYZCmd.h,
643 +        src/applications/Lattice.cpp, src/applications/Lattice.hpp,
644 +        src/applications/LatticeCreator.cpp,
645 +        src/applications/LatticeCreator.hpp,
646 +        src/applications/LatticeFactory.cpp,
647 +        src/applications/LatticeFactory.hpp, src/applications/Makedepend,
648 +        src/applications/Makefile, src/applications/MoLocator.cpp,
649 +        src/applications/MoLocator.hpp, src/applications/Vector3d.hpp,
650 +        src/applications/cmdline.c, src/applications/cmdline.h,
651 +        src/applications/getopt.c, src/applications/getopt1.c,
652 +        src/applications/gnugetopt.h, src/applications/nanoBuilder.cpp,
653 +        src/applications/nanoBuilder.hpp, src/applications/oopse.cpp,
654 +        src/applications/quickLate.c, src/applications/simpleBuilder.cpp,
655 +        src/applications/simpleBuilder.ggo,
656 +        src/applications/simpleBuilderCmd.c,
657 +        src/integrators/AbstractClasses.hpp,
658 +        src/integrators/AllIntegrator.hpp, src/integrators/Integrator.cpp,
659 +        src/integrators/Integrator.hpp, src/integrators/Makefile,
660 +        src/integrators/NPT.cpp, src/integrators/NPTf.cpp,
661 +        src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp,
662 +        src/integrators/NVT.cpp, src/profiling/Makefile,
663 +        src/profiling/mdProfile.cpp, src/profiling/mdProfile.hpp,
664 +        src/profiling/timing.F90, samples/metals/Au_bulk.in,
665 +        samples/metals/Au_nanoparticle.in, samples/metals/metals.md,
666 +        samples/water/Makefile.in, samples/water/dimer/Makefile.in,
667 +        samples/water/dimer/two.in, samples/water/dimer/two.md,
668 +        samples/water/dimer/water.md, samples/water/spce/Makefile.in,
669 +        samples/water/spce/spce.in, samples/water/spce/spce.md,
670 +        samples/water/spce/water.md, samples/water/ssde/Makefile.in,
671 +        samples/water/ssde/ssde.in, samples/water/ssde/ssde.md,
672 +        samples/water/ssde/water.md, samples/water/tip3p_ice/Makefile.in,
673 +        samples/water/tip3p_ice/tp3.in, samples/water/tip3p_ice/tp3.md,
674 +        samples/water/tip3p_ice/water.md, samples/water/ssd/Makefile.in,
675 +        samples/water/ssd/ssd.in, samples/water/ssd/ssd.md,
676 +        samples/water/ssd/water.md, samples/water/tip4p/tp4.in,
677 +        samples/water/tip4p/tp4.md, samples/water/tip4p/water.md,
678 +        samples/alkane/Makefile.in, samples/alkane/alkanes.md,
679 +        samples/alkane/butane.in, samples/alkane/butane.md,
680 +        samples/argon/500.in, samples/argon/500.md,
681 +        samples/argon/Makefile.in, samples/argon/ar864.in,
682 +        samples/argon/ar864.md, samples/argon/argonNVT.in,
683 +        samples/argon/argonNVT.md, samples/argon/lj.md,
684 +        samples/lipid/5x5.in, samples/lipid/5x5.md,
685 +        samples/lipid/Makefile.in, samples/lipid/lipid.md,
686 +        samples/lipid/water.md, samples/minimizer/Makefile.in,
687 +        samples/minimizer/WATER.frc, samples/minimizer/ssdEM.in,
688 +        samples/minimizer/ssdEM.md, samples/minimizer/tip4p_two.in,
689 +        samples/minimizer/tip4p_two.md, samples/minimizer/water.md,
690 +        samples/water/tip4p/Makefile.in, forceFields/Ag.VC.funcfl,
691 +        forceFields/Ag.u3.funcfl, forceFields/Ag.u6.funcfl,
692 +        forceFields/Au.u6.funcfl, forceFields/Cu.VC.funcfl,
693 +        forceFields/Cu.u3.funcfl, forceFields/Cu.u6.funcfl,
694 +        forceFields/DUFF.frc, forceFields/DipoleTest.frc,
695 +        forceFields/EAM.VC.frc, forceFields/EAM.frc,
696 +        forceFields/EAM.u3.frc, forceFields/EAM.u6.frc,
697 +        forceFields/Makefile.in, forceFields/Ni.u3.funcfl,
698 +        forceFields/Ni.u6.funcfl, forceFields/Pd.VC.funcfl,
699 +        forceFields/Pd.u6.funcfl, forceFields/Pt.u3.funcfl,
700 +        forceFields/Pt.u6.funcfl, forceFields/WATER.frc, scripts/cleanSrc,
701 +        scripts/cvs2cl.pl, scripts/makers, scripts/sfmakedepend,
702          ac-tools/Make.conf.in, ac-tools/aclocal.m4, ac-tools/config.guess,
703          ac-tools/config.sub, ac-tools/configure.in, ac-tools/fortran90.m4,
704 <        ac-tools/install-sh, ac-tools/shtool: Import of OOPSE v. 2.0
704 >        ac-tools/install-sh, ac-tools/shtool, doc/OOPSE.pdf,
705 >        forceFields/Al.VC.funcfl, forceFields/Au.VC.funcfl,
706 >        forceFields/Au.u3.funcfl, forceFields/LJFF.frc,
707 >        forceFields/Ni.VC.funcfl, forceFields/Pd.u3.funcfl,
708 >        forceFields/Pt.VC.funcfl: Import of OOPSE v. 2.0
709  
710   2004-09-23 23:16  gezelter
711  
712          * AUTHORS, ChangeLog, LICENSE, Makefile, README, configure,
713 +        src/Makefile, src/config.h.in, src/constraints/AbstractClasses.hpp,
714 +        src/constraints/Makefile, src/constraints/ZConstraint.cpp,
715 +        src/UseTheForce/DUFF.cpp, src/UseTheForce/EAM_FF.cpp,
716 +        src/UseTheForce/ForceFields.cpp, src/UseTheForce/ForceFields.hpp,
717 +        src/UseTheForce/LJFF.cpp, src/UseTheForce/Makefile,
718 +        src/UseTheForce/WATER.cpp, src/UseTheForce/do_Forces.F90,
719 +        src/UseTheForce/fForceField.h,
720 +        src/UseTheForce/fSwitchingFunction.h,
721 +        src/UseTheForce/fortranWrapDefines.hpp,
722 +        src/UseTheForce/fortranWrappers.cpp,
723 +        src/UseTheForce/fortranWrappers.hpp,
724 +        src/UseTheForce/mpiComponentPlan.h,
725 +        src/UseTheForce/mpiForceField.c, src/UseTheForce/mpiForceField.h,
726 +        src/UseTheForce/mpiSimulation_module.F90,
727 +        src/UseTheForce/wrappers.F90, src/UseTheForce/DarkSide/Makefile,
728 +        src/UseTheForce/DarkSide/atype_module.F90,
729 +        src/UseTheForce/DarkSide/calc_LJ_FF.F90,
730 +        src/UseTheForce/DarkSide/calc_charge_charge.F90,
731 +        src/UseTheForce/DarkSide/calc_dipole_dipole.F90,
732 +        src/UseTheForce/DarkSide/calc_eam.F90,
733 +        src/UseTheForce/DarkSide/calc_gb.F90,
734 +        src/UseTheForce/DarkSide/calc_reaction_field.F90,
735 +        src/UseTheForce/DarkSide/calc_sticky_pair.F90,
736 +        src/UseTheForce/DarkSide/force_globals.F90,
737 +        src/UseTheForce/DarkSide/neighborLists.F90,
738 +        src/UseTheForce/DarkSide/notifyCutoffs.F90,
739 +        src/UseTheForce/DarkSide/switch_module.F90,
740 +        src/io/BASS_interface.h, src/io/BASS_parse.c, src/io/BASS_parse.h,
741 +        src/io/BASSlex.l, src/io/BASSyacc.y, src/io/DumpReader.cpp,
742 +        src/io/DumpWriter.cpp, src/io/Globals.cpp,
743 +        src/io/InitializeFromFile.cpp, src/io/LinkedAssign.hpp,
744 +        src/io/LinkedCommand.cpp, src/io/LinkedCommand.hpp,
745 +        src/io/Makefile, src/io/ReadWrite.hpp, src/io/StatWriter.cpp,
746 +        src/io/ZConsReader.hpp, src/io/ZConsWriter.cpp,
747 +        src/io/ZConsWriter.hpp, src/io/interface.c, src/io/make_nodes.c,
748 +        src/io/make_nodes.h, src/io/mpiBASS.c, src/io/mpiBASS.h,
749 +        src/io/node_list.h, src/io/parse_interface.h, src/io/parse_me.h,
750 +        src/io/parse_tree.c, src/io/parse_tree.h, src/types/AtomStamp.cpp,
751 +        src/types/AtomStamp.hpp, src/types/BendStamp.cpp,
752 +        src/types/BendStamp.hpp, src/types/BondStamp.cpp,
753 +        src/types/BondStamp.hpp, src/types/Component.cpp,
754 +        src/types/Component.hpp, src/types/CutoffGroupStamp.cpp,
755 +        src/types/CutoffGroupStamp.hpp, src/types/MakeStamps.cpp,
756 +        src/types/MakeStamps.hpp, src/types/Makefile,
757 +        src/types/MoleculeStamp.cpp, src/types/MoleculeStamp.hpp,
758 +        src/types/RigidBodyStamp.cpp, src/types/RigidBodyStamp.hpp,
759 +        src/types/TorsionStamp.cpp, src/types/TorsionStamp.hpp,
760 +        src/types/ZconStamp.cpp, src/types/ZconStamp.hpp,
761 +        src/applications/simpleBuilderCmd.h, src/brains/Exclude.cpp,
762 +        src/brains/Exclude.hpp, src/brains/ForceFields.cpp,
763 +        src/brains/Makedepend, src/brains/Makefile, src/brains/SimInfo.cpp,
764 +        src/brains/SimInfo.hpp, src/brains/SimSetup.cpp,
765 +        src/brains/SimSetup.hpp, src/brains/SimState.cpp,
766 +        src/brains/SimState.hpp, src/brains/SkipList.cpp,
767 +        src/brains/SkipList.hpp, src/brains/Thermo.cpp,
768 +        src/brains/Thermo.hpp, src/brains/fSimulation.h,
769 +        src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp,
770 +        src/brains/simulation_module.F90, src/io/BASS_interface.cpp,
771 +        src/io/Globals.hpp, src/io/LinkedAssign.cpp,
772 +        src/io/ZConsReader.cpp, src/math/Euler3.cpp, src/math/Euler3.hpp,
773 +        src/math/Makefile, src/math/MatVec3.c, src/math/MatVec3.h,
774 +        src/math/mt19937ar.c, src/math/randomSPRNG.cpp,
775 +        src/math/randomSPRNG.hpp, src/minimizers/CGFamilyMinimizer.cpp,
776 +        src/minimizers/Makefile, src/minimizers/MinimizerParameterSet.hpp,
777 +        src/minimizers/OOPSEMinimizer.cpp,
778 +        src/minimizers/OOPSEMinimizer.hpp, src/minimizers/PRCG.cpp,
779 +        src/minimizers/SDMinimizer.cpp, src/primitives/AbstractClasses.hpp,
780 +        src/primitives/Atom.cpp, src/primitives/Atom.hpp,
781 +        src/primitives/Bend.cpp, src/primitives/BendExtensions.cpp,
782 +        src/primitives/Bond.cpp, src/primitives/BondExtensions.cpp,
783 +        src/primitives/CutoffGroup.hpp, src/primitives/DirectionalAtom.cpp,
784 +        src/primitives/DirectionalAtom.hpp, src/primitives/GhostBend.cpp,
785 +        src/primitives/Makefile, src/primitives/Molecule.cpp,
786 +        src/primitives/Molecule.hpp, src/primitives/RigidBody.cpp,
787 +        src/primitives/RigidBody.hpp, src/primitives/SRI.hpp,
788 +        src/primitives/StuntDouble.cpp, src/primitives/StuntDouble.hpp,
789 +        src/primitives/Torsion.cpp, src/primitives/TorsionExtensions.cpp,
790 +        src/restraints/Makefile, src/restraints/Restraints.cpp,
791 +        src/restraints/Restraints.hpp, src/utils/GenericData.cpp,
792 +        src/utils/GenericData.hpp, src/utils/Makefile,
793 +        src/utils/StreamTokenizer.cpp, src/utils/StreamTokenizer.hpp,
794 +        src/utils/StringUtils.c, src/utils/StringUtils.cpp,
795 +        src/utils/StringUtils.h, src/utils/StringUtils.hpp,
796 +        src/utils/TypeInfo.hpp, src/utils/Utility.cpp,
797 +        src/utils/Utility.hpp, src/utils/definitions_module.F90,
798 +        src/utils/fError.c, src/utils/oopseMPI_module.F90,
799 +        src/utils/simError.c, src/utils/simError.h,
800 +        src/utils/status_module.F90, src/utils/vector_class.F90,
801 +        src/visitors/AtomVisitor.cpp, src/visitors/AtomVisitor.hpp,
802 +        src/visitors/BaseVisitor.hpp, src/visitors/CompositeVisitor.cpp,
803 +        src/visitors/CompositeVisitor.hpp, src/visitors/Makefile,
804 +        src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
805 +        src/visitors/RigidBodyVisitor.cpp,
806 +        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
807 +        src/visitors/ZconsVisitor.hpp, make/Makefile,
808 +        make/_files/style.css, samples/Makefile.in,
809 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
810 +        samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
811 +        samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
812 +        samples/metals/Au_nanoparticle.md, samples/metals/Makefile.in,
813 +        samples/zcons/Makefile.in, samples/zcons/water.md,
814 +        samples/zcons/zconsFixed.in, samples/zcons/zconsFixed.md,
815 +        samples/zcons/zconsMoving.in, samples/zcons/zconsMoving.md,
816 +        src/applications/BaseLattice.cpp, src/applications/BaseLattice.hpp,
817 +        src/applications/Dump2XYZ.cpp, src/applications/Dump2XYZ.ggo,
818 +        src/applications/Dump2XYZCmd.c, src/applications/Dump2XYZCmd.h,
819 +        src/applications/Lattice.cpp, src/applications/Lattice.hpp,
820 +        src/applications/LatticeCreator.cpp,
821 +        src/applications/LatticeCreator.hpp,
822 +        src/applications/LatticeFactory.cpp,
823 +        src/applications/LatticeFactory.hpp, src/applications/Makedepend,
824 +        src/applications/Makefile, src/applications/MoLocator.cpp,
825 +        src/applications/MoLocator.hpp, src/applications/Vector3d.hpp,
826 +        src/applications/cmdline.c, src/applications/cmdline.h,
827 +        src/applications/getopt.c, src/applications/getopt1.c,
828 +        src/applications/gnugetopt.h, src/applications/nanoBuilder.cpp,
829 +        src/applications/nanoBuilder.hpp, src/applications/oopse.cpp,
830 +        src/applications/quickLate.c, src/applications/simpleBuilder.cpp,
831 +        src/applications/simpleBuilder.ggo,
832 +        src/applications/simpleBuilderCmd.c,
833 +        src/integrators/AbstractClasses.hpp,
834 +        src/integrators/AllIntegrator.hpp, src/integrators/Integrator.cpp,
835 +        src/integrators/Integrator.hpp, src/integrators/Makefile,
836 +        src/integrators/NPT.cpp, src/integrators/NPTf.cpp,
837 +        src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp,
838 +        src/integrators/NVT.cpp, src/profiling/Makefile,
839 +        src/profiling/mdProfile.cpp, src/profiling/mdProfile.hpp,
840 +        src/profiling/timing.F90, samples/metals/Au_bulk.in,
841 +        samples/metals/Au_nanoparticle.in, samples/metals/metals.md,
842 +        samples/water/Makefile.in, samples/water/dimer/Makefile.in,
843 +        samples/water/dimer/two.in, samples/water/dimer/two.md,
844 +        samples/water/dimer/water.md, samples/water/spce/Makefile.in,
845 +        samples/water/spce/spce.in, samples/water/spce/spce.md,
846 +        samples/water/spce/water.md, samples/water/ssde/Makefile.in,
847 +        samples/water/ssde/ssde.in, samples/water/ssde/ssde.md,
848 +        samples/water/ssde/water.md, samples/water/tip3p_ice/Makefile.in,
849 +        samples/water/tip3p_ice/tp3.in, samples/water/tip3p_ice/tp3.md,
850 +        samples/water/tip3p_ice/water.md, samples/water/ssd/Makefile.in,
851 +        samples/water/ssd/ssd.in, samples/water/ssd/ssd.md,
852 +        samples/water/ssd/water.md, samples/water/tip4p/tp4.in,
853 +        samples/water/tip4p/tp4.md, samples/water/tip4p/water.md,
854 +        samples/alkane/Makefile.in, samples/alkane/alkanes.md,
855 +        samples/alkane/butane.in, samples/alkane/butane.md,
856 +        samples/argon/500.in, samples/argon/500.md,
857 +        samples/argon/Makefile.in, samples/argon/ar864.in,
858 +        samples/argon/ar864.md, samples/argon/argonNVT.in,
859 +        samples/argon/argonNVT.md, samples/argon/lj.md,
860 +        samples/lipid/5x5.in, samples/lipid/5x5.md,
861 +        samples/lipid/Makefile.in, samples/lipid/lipid.md,
862 +        samples/lipid/water.md, samples/minimizer/Makefile.in,
863 +        samples/minimizer/WATER.frc, samples/minimizer/ssdEM.in,
864 +        samples/minimizer/ssdEM.md, samples/minimizer/tip4p_two.in,
865 +        samples/minimizer/tip4p_two.md, samples/minimizer/water.md,
866 +        samples/water/tip4p/Makefile.in, forceFields/Ag.VC.funcfl,
867 +        forceFields/Ag.u3.funcfl, forceFields/Ag.u6.funcfl,
868 +        forceFields/Au.u6.funcfl, forceFields/Cu.VC.funcfl,
869 +        forceFields/Cu.u3.funcfl, forceFields/Cu.u6.funcfl,
870 +        forceFields/DUFF.frc, forceFields/DipoleTest.frc,
871 +        forceFields/EAM.VC.frc, forceFields/EAM.frc,
872 +        forceFields/EAM.u3.frc, forceFields/EAM.u6.frc,
873 +        forceFields/Makefile.in, forceFields/Ni.u3.funcfl,
874 +        forceFields/Ni.u6.funcfl, forceFields/Pd.VC.funcfl,
875 +        forceFields/Pd.u6.funcfl, forceFields/Pt.u3.funcfl,
876 +        forceFields/Pt.u6.funcfl, forceFields/WATER.frc, scripts/cleanSrc,
877 +        scripts/cvs2cl.pl, scripts/makers, scripts/sfmakedepend,
878          ac-tools/Make.conf.in, ac-tools/aclocal.m4, ac-tools/config.guess,
879          ac-tools/config.sub, ac-tools/configure.in, ac-tools/fortran90.m4,
880 <        ac-tools/install-sh, ac-tools/shtool: Initial revision
880 >        ac-tools/install-sh, ac-tools/shtool, doc/OOPSE.pdf,
881 >        forceFields/Al.VC.funcfl, forceFields/Au.VC.funcfl,
882 >        forceFields/Au.u3.funcfl, forceFields/LJFF.frc,
883 >        forceFields/Ni.VC.funcfl, forceFields/Pd.u3.funcfl,
884 >        forceFields/Pt.VC.funcfl: Initial revision
885  

Diff Legend

Removed lines
+ Added lines
< Changed lines
> Changed lines