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Comparing trunk/OOPSE-2.0/ChangeLog (file contents):
Revision 2205 by gezelter, Fri Apr 15 22:22:10 2005 UTC vs.
Revision 2309 by chrisfen, Sun Sep 18 20:45:38 2005 UTC

# Line 1 | Line 1
1 + 2005-09-16 18:04  chuckv
2 +
3 +        * src/io/: Globals.cpp, Globals.hpp: Added keywords for compressed
4 +        dump files.
5 +
6 + 2005-09-16 16:07  chrisfen
7 +
8 +        * src/: UseTheForce/doForces_interface.F90,
9 +        UseTheForce/doForces_interface.h, brains/SimInfo.cpp: xlf found a
10 +        bug that ifc missed...
11 +
12 + 2005-09-16 15:36  chrisfen
13 +
14 +        * src/UseTheForce/: doForces.F90, DarkSide/electrostatic.F90:
15 +        fixing some summation method issues
16 +
17 + 2005-09-16 14:35  chrisfen
18 +
19 +        * src/brains/SimInfo.cpp: fixed a capitalization error
20 +
21 + 2005-09-16 14:34  chrisfen
22 +
23 +        * src/UseTheForce/: fElectrostaticSummationMethod.h,
24 +        DarkSide/fElectrostaticSummationMethod.h: moved a header file
25 +        around
26 +
27 + 2005-09-16 14:00  chrisfen
28 +
29 +        * src/: UseTheForce/DarkSide/electrostatic_interface.F90,
30 +        brains/SimInfo.cpp, brains/SimInfo.hpp: it builds now, but there
31 +        are known issues - particularly with reaction field...
32 +
33 + 2005-09-16 11:07  chrisfen
34 +
35 +        * src/: UseTheForce/DarkSide/electrostatic.F90, brains/SimInfo.cpp,
36 +        io/Globals.cpp, io/Globals.hpp: some fixes but even more breaking
37 +        (cutting out the old way to do reaction field)
38 +
39 + 2005-09-15 17:05  gezelter
40 +
41 +        * src/UseTheForce/: doForces.F90, fCoulombicCorrection.h,
42 +        fElectrostaticSummationMethod.h, DarkSide/electrostatic.F90,
43 +        DarkSide/electrostatic_interface.F90,
44 +        DarkSide/electrostatic_interface.h: Working on adding WOLF
45 +
46 + 2005-09-15 14:17  tim
47 +
48 +        * src/io/DumpReader.cpp: Fix a bug in DumpReader in case readFrame
49 +        is called without calling getNFrames
50 +
51 + 2005-09-15 08:47  chrisfen
52 +
53 +        * src/UseTheForce/fCoulombicCorrection.h: forgot to add a header
54 +
55 + 2005-09-14 21:48  chuckv
56 +
57 +        * src/UseTheForce/doForces.F90: Fixed bug where gtypeMaxCutoff was
58 +        not initialized after creation. When maxval(gtypeMaxCutoff) was
59 +        called, the largest random garbage value was returned from the
60 +        array.
61 +
62 + 2005-09-14 19:14  chrisfen
63 +
64 +        * src/: brains/SimInfo.cpp, brains/SimInfo.hpp, io/Globals.cpp,
65 +        io/Globals.hpp: changes to include the coulombicCorrection selector
66 +
67 + 2005-09-14 19:13  chrisfen
68 +
69 +        * src/UseTheForce/DarkSide/: Makefile, electrostatic.F90,
70 +        reactionField.F90: added in the undamped wolf, in the process of
71 +        doing the damped wolf
72 +
73 + 2005-09-14 19:13  chrisfen
74 +
75 +        * src/UseTheForce/: doForces.F90, doForces_interface.F90,
76 +        doForces_interface.h, notifyCutoffs.F90: some changes to activate
77 +        the coulombicCorrection selector
78 +
79 + 2005-09-14 19:11  chrisfen
80 +
81 +        * samples/water/dimer/: cl.in, cl.md, water.md: just some testing
82 +
83 + 2005-09-14 19:11  chrisfen
84 +
85 +        * samples/argon/: 500.in, 500.md: Equilibrated the sample
86 +
87 + 2005-09-14 19:10  chrisfen
88 +
89 +        * forceFields/DUFF2.frc: re-added Cl- and Na+
90 +
91 + 2005-09-14 15:31  chuckv
92 +
93 +        * src/UseTheForce/DarkSide/eam.F90: EAM now uses eamlist to lookup
94 +        eamAtypes instead of assuming a 1-1 correspondence to atypes.
95 +
96 + 2005-09-14 15:28  gezelter
97 +
98 +        * src/UseTheForce/doForces.F90: fix to put back calculation of r in
99 +        do_prepair
100 +
101 + 2005-09-14 14:02  gezelter
102 +
103 +        * src/UseTheForce/DarkSide/LJ.F90: fixed a bug in the
104 +        createMixingMap routine.  It should now set doShift correctly
105 +
106 + 2005-09-07 17:44  chuckv
107 +
108 +        * src/UseTheForce/doForces.F90: Added nGroupsInRow for mpi build.
109 +
110 + 2005-09-07 17:23  chuckv
111 +
112 +        * src/UseTheForce/DarkSide/simParallel.F90: Added access to mpi
113 +        logical variables
114 +
115 + 2005-09-07 17:08  gezelter
116 +
117 +        * src/UseTheForce/doForces.F90: bugfix on the grouptype finding
118 +        algorithm
119 +
120 + 2005-09-07 15:46  gezelter
121 +
122 +        * src/: UseTheForce/doForces.F90,
123 +        UseTheForce/doForces_interface.F90, UseTheForce/notifyCutoffs.F90,
124 +        UseTheForce/notifyCutoffs_interface.F90,
125 +        UseTheForce/notifyCutoffs_interface.h, brains/SimInfo.cpp,
126 +        io/Globals.cpp, io/Globals.hpp: adding c-side interface to change
127 +        cutoff Policy
128 +
129 + 2005-09-07 14:18  gezelter
130 +
131 +        * src/UseTheForce/doForces.F90: Some bug hunting
132 +
133 + 2005-09-07 14:18  gezelter
134 +
135 +        * samples/argon/argonNVT.md: Just a longer test
136 +
137 + 2005-09-06 12:32  chuckv
138 +
139 +        * src/UseTheForce/doForces.F90: Added allocation for gtypeCutoffmap
140 +        etc..
141 +
142 + 2005-09-01 17:56  gezelter
143 +
144 +        * src/UseTheForce/doForces.F90: initialized atomTypeMaxCutoff(i) to
145 +        zero
146 +
147 + 2005-09-01 15:17  gezelter
148 +
149 +        * src/UseTheForce/: doForces.F90, doForces_interface.F90: wrote
150 +        createGtypeCutoffMap
151 +
152 + 2005-08-30 13:23  chrisfen
153 +
154 +        * src/: UseTheForce/doForces.F90,
155 +        UseTheForce/doForces_interface.F90,
156 +        UseTheForce/doForces_interface.h,
157 +        UseTheForce/DarkSide/electrostatic.F90,
158 +        UseTheForce/DarkSide/gb.F90, brains/SimInfo.cpp,
159 +        brains/fSimulation.h, io/Globals.cpp, io/Globals.hpp: made some
160 +        changes for implementing the wolf potential
161 +
162 + 2005-08-26 17:39  chrisfen
163 +
164 +        * src/UseTheForce/DarkSide/eam.F90: updated getEAMCut
165 +
166 + 2005-08-26 16:30  chrisfen
167 +
168 +        * src/UseTheForce/: doForces.F90, DarkSide/eam.F90,
169 +        DarkSide/gb.F90, DarkSide/shapes.F90, DarkSide/sticky.F90: added
170 +        some probably nonfunctional get*cut routines
171 +
172 + 2005-08-26 15:34  chuckv
173 +
174 +        * src/UseTheForce/DarkSide/eam.F90: Added eamType map to atid map.
175 +
176 + 2005-08-26 11:36  gezelter
177 +
178 +        * src/UseTheForce/doForces.F90: fixing some of the problems in the
179 +        interactionHash and gtypeCutoff routines
180 +
181 + 2005-08-17 10:26  gezelter
182 +
183 +        * src/UseTheForce/: doForces.F90, fCutoffPolicy.h,
184 +        DarkSide/simulation.F90: added fCutoffPolicy.h
185 +
186 + 2005-08-11 16:04  gezelter
187 +
188 +        * src/UseTheForce/: doForces.F90, notifyCutoffs.F90: breakage in
189 +        progress
190 +
191 + 2005-08-10 14:17  gezelter
192 +
193 +        * src/primitives/StuntDouble.hpp: putting spaceballs back where
194 +        they belong
195 +
196 + 2005-08-09 17:33  gezelter
197 +
198 +        * src/UseTheForce/DarkSide/LJ.F90: Complete rewrite of Lennard
199 +        Jones module
200 +
201 + 2005-08-09 17:33  gezelter
202 +
203 +        * src/UseTheForce/doForces.F90: Breaky Breaky BREAKY breaky breaky
204 +
205 + 2005-08-09 14:40  chuckv
206 +
207 +        * src/UseTheForce/doForces.F90: In process of re-write for group
208 +        based cutoff....
209 +
210 + 2005-07-29 14:38  gezelter
211 +
212 +        * src/UseTheForce/doForces.F90: fixes in progress
213 +
214 + 2005-07-29 12:34  tim
215 +
216 +        * src/UseTheForce/doForces.F90: fix a bug which does not update
217 +        me_i and me_j correctly
218 +
219 + 2005-07-28 17:12  chuckv
220 +
221 +        * src/UseTheForce/: doForces.F90, notifyCutoffs.F90: Changed
222 +        cutoffs... Segfaults nicely now...
223 +
224 + 2005-07-20 12:04  gezelter
225 +
226 +        * configure, ac-tools/aclocal.m4: fixed ACX_MPI to ignore some text
227 +        error messages from pathscale compiler
228 +
229 + 2005-07-13 11:48  tim
230 +
231 +        * src/applications/staticProps/DensityPlot.cpp: std::bind2nd is in
232 +        <functional>
233 +
234 + 2005-07-13 10:54  tim
235 +
236 +        * src/: UseTheForce/fSwitchingFunction.h,
237 +        UseTheForce/mpiComponentPlan.h,
238 +        UseTheForce/DarkSide/fInteractionMap.h, brains/fSimulation.h,
239 +        io/BASS_interface.h, io/BASS_parse.c, io/BASS_parse.h,
240 +        io/BASSlex.l, io/BASSyacc.y, io/interface.c, io/make_nodes.c,
241 +        io/mpiBASS.c, io/mpiBASS.h, io/node_list.h, io/parse_tree.c,
242 +        io/parse_tree.h, math/MatVec3.c, utils/residentMem.c,
243 +        utils/simError.c, utils/simError.h: replace c++ style comment in c
244 +        files
245 +
246 + 2005-07-03 15:53  chuckv
247 +
248 +        * src/: UseTheForce/doForces.F90, UseTheForce/notifyCutoffs.F90,
249 +        UseTheForce/DarkSide/simulation.F90, utils/oopseMPI.F90: Added
250 +        subroutine to set cuttoff for Interaction map and function in
251 +        simulation.F90 to determine if a particular atype is present in a
252 +        simulation.
253 +
254 + 2005-06-28 08:58  gezelter
255 +
256 +        * src/UseTheForce/doForces.F90: [no log message]
257 +
258 + 2005-06-27 17:21  chuckv
259 +
260 +        * src/UseTheForce/doForces.F90: More breaking and destruction of
261 +        force code. Does not build at this point...
262 +
263 + 2005-06-27 16:01  gezelter
264 +
265 +        * src/: UseTheForce/doForces.F90, UseTheForce/DarkSide/atype.F90,
266 +        UseTheForce/DarkSide/fInteractionMap.h,
267 +        UseTheForce/DarkSide/interactions.F90, utils/definitions.F90:
268 +        Breaky breaky!
269 +
270 + 2005-06-20 11:03  gezelter
271 +
272 +        * samples/water/ssd/ssd.md,
273 +        src/applications/staticProps/DensityPlot.cpp: fixed a bug and ran a
274 +        simulation
275 +
276 + 2005-06-13 13:25  tim
277 +
278 +        * src/: applications/staticProps/DensityPlot.cpp,
279 +        applications/staticProps/DensityPlot.hpp,
280 +        applications/staticProps/SCDOrderParameter.cpp,
281 +        applications/staticProps/StaticProps.cpp,
282 +        io/AtomTypesSectionParser.cpp: working version of DensityPlot
283 +
284 + 2005-05-31 17:31  chuckv
285 +
286 +        * src/: brains/SimInfo.cpp, integrators/Velocitizer.cpp: Changes to
287 +        remove angular momentum.
288 +
289 + 2005-05-31 12:34  chuckv
290 +
291 +        * src/applications/nanoRodBuilder/nanorodBuilder.cpp: Fixed bug in
292 +        typo in nanorodBuilder.
293 +
294 + 2005-05-30 09:01  chuckv
295 +
296 +        * src/: applications/nanoRodBuilder/nanorodBuilder.cpp,
297 +        brains/SimInfo.cpp, brains/SimInfo.hpp, brains/Stats.cpp,
298 +        brains/Stats.hpp, integrators/Velocitizer.cpp,
299 +        integrators/Velocitizer.hpp: Added method to remove system angular
300 +        momentum to velocitizer and added method to calculate system
301 +        angular momentum to siminfo.
302 +
303 + 2005-05-29 16:16  chrisfen
304 +
305 +        * src/UseTheForce/DarkSide/: electrostatic.F90, sticky.F90: Removed
306 +        balance from the Darkside (files)
307 +
308 + 2005-05-29 16:15  chrisfen
309 +
310 +        * src/UseTheForce/doForces.F90: Removed balance from doForces
311 +
312 + 2005-05-29 16:15  chrisfen
313 +
314 +        * samples/water/tap/: tap.in, tap.md: Updated tap sample
315 +
316 + 2005-05-29 16:15  chrisfen
317 +
318 +        * samples/water/dimer/: Makefile, tap.in, tap.md: Included a tap
319 +        dimer for testing purposes
320 +
321 + 2005-05-29 16:14  chrisfen
322 +
323 +        * forceFields/DUFF2.frc: Re-entered the TIP4P-Ew water model. It
324 +        was apparently wiped earlier this month...
325 +
326 + 2005-05-29 16:13  chrisfen
327 +
328 +        * ChangeLog: ran make cvslog
329 +
330 + 2005-05-28 19:16  tim
331 +
332 +        * src/visitors/: AtomNameVisitor.cpp, AtomNameVisitor.hpp: adding
333 +        AtomNameVisitor
334 +
335 + 2005-05-28 19:09  tim
336 +
337 +        * src/integrators/Integrator.cpp: dding resetIntegrator
338 +
339 + 2005-05-28 19:06  tim
340 +
341 +        * src/integrators/: Integrator.cpp, Integrator.hpp, NPT.cpp,
342 +        NPT.hpp, NPTi.cpp, NPTi.hpp, NVT.cpp, NVT.hpp,
343 +        VelocityVerletIntegrator.cpp, VelocityVerletIntegrator.hpp: adding
344 +        resetIntegrator
345 +
346 + 2005-05-27 16:11  tim
347 +
348 +        * src/applications/staticProps/: DensityPlot.cpp, DensityPlot.hpp,
349 +        Makefile, P2OrderParameter.cpp, SCDOrderParameter.cpp,
350 +        SCDOrderParameter.hpp, StaticProps.cpp, StaticProps.ggo,
351 +        StaticPropsCmd.c, StaticPropsCmd.h: adding DensityPlot into
352 +        StaticProps
353 +
354 + 2005-05-26 23:41  tim
355 +
356 +        * src/: applications/staticProps/Makefile,
357 +        applications/staticProps/P2OrderParameter.cpp,
358 +        applications/staticProps/P2OrderParameter.hpp,
359 +        applications/staticProps/StaticProps.cpp,
360 +        applications/staticProps/StaticProps.ggo,
361 +        applications/staticProps/StaticPropsCmd.c,
362 +        applications/staticProps/StaticPropsCmd.h, utils/StringUtils.cpp,
363 +        utils/StringUtils.hpp: adding SCDOrderParameter into StaticProps
364 +
365 + 2005-05-26 17:45  tim
366 +
367 +        * src/: applications/dump2Xyz/Dump2XYZ.cpp,
368 +        applications/dump2Xyz/Dump2XYZCmd.c,
369 +        applications/dump2Xyz/Dump2XYZCmd.h,
370 +        applications/staticProps/Makefile,
371 +        applications/staticProps/P2OrderParameter.cpp,
372 +        applications/staticProps/P2OrderParameter.hpp,
373 +        applications/staticProps/RadialDistrFunc.cpp,
374 +        applications/staticProps/RadialDistrFunc.hpp,
375 +        applications/staticProps/StaticAnalyser.hpp,
376 +        applications/staticProps/StaticProps.cpp,
377 +        applications/staticProps/StaticProps.ggo,
378 +        applications/staticProps/StaticPropsCmd.c,
379 +        applications/staticProps/StaticPropsCmd.h, visitors/Makefile,
380 +        visitors/OtherVisitor.cpp, visitors/OtherVisitor.hpp: adding
381 +        AtomNameVisitor to convert atom name to its base name;
382 +        wrappingvisitor now wrap back to the center of the mass; adding
383 +        P2OrderParameter into StaticProps
384 +
385 + 2005-05-22 16:36  chuckv
386 +
387 +        * samples/metals/nanorod/Au_nanoparticle_FCC.md,
388 +        src/applications/nanoRodBuilder/Geometry.cpp,
389 +        src/applications/nanoRodBuilder/GeometryBuilder.cpp,
390 +        src/applications/nanoRodBuilder/GeometryFactory.cpp,
391 +        src/applications/nanoRodBuilder/GeometryFactory.hpp,
392 +        src/applications/nanoRodBuilder/nanorodBuilder.cpp,
393 +        src/integrators/VelocityVerletIntegrator.cpp: Fix to print pressure
394 +        tensor.
395 +
396 + 2005-05-22 16:05  tim
397 +
398 +        * src/: brains/Stats.cpp, brains/Stats.hpp, brains/Thermo.cpp,
399 +        integrators/VelocityVerletIntegrator.cpp, io/Globals.cpp,
400 +        io/Globals.hpp, io/SectionParserManager.cpp: adding keyword
401 +        printPressureTensor
402 +
403 + 2005-05-20 14:27  tim
404 +
405 +        * src/integrators/NPrT.cpp: NPrT in progress
406 +
407 + 2005-05-20 11:01  tim
408 +
409 +        * src/: integrators/NPrT.cpp, io/Globals.cpp,
410 +        utils/OOPSEConstant.hpp: NPrT in progress
411 +
412 + 2005-05-19 16:31  tim
413 +
414 +        * src/: brains/Thermo.cpp, brains/Thermo.hpp, integrators/NPAT.cpp,
415 +        integrators/NPrT.cpp, integrators/NPrT.hpp, io/Globals.cpp,
416 +        io/Globals.hpp: NPAT is working
417 +
418 + 2005-05-19 10:49  tim
419 +
420 +        * src/: UseTheForce/DarkSide/LJ.F90, integrators/Makefile,
421 +        integrators/NPrT.cpp, io/Globals.cpp: fix bug in NPAT and NPrT
422 +
423 + 2005-05-18 23:28  tim
424 +
425 +        * src/: brains/Register.cpp, integrators/NPAT.cpp,
426 +        integrators/NPAT.hpp, integrators/NPrT.cpp, integrators/NPrT.hpp,
427 +        io/Globals.cpp, io/Globals.hpp: adding NPAT and NPrT integrators
428 +
429 + 2005-05-18 14:06  chrisfen
430 +
431 +        * forceFields/DUFF2.frc, src/UseTheForce/DarkSide/sticky.F90: just
432 +        some tap changes
433 +
434 + 2005-05-18 13:31  chrisfen
435 +
436 +        * src/UseTheForce/: doForces.F90, DarkSide/electrostatic.F90,
437 +        DarkSide/sticky.F90: Modifications to temper the dipolar strength
438 +        in the first solvation shell for tap
439 +
440 + 2005-05-18 07:35  chrisfen
441 +
442 +        * samples/water/tap/: tap.in, tap.md, water.md: added a tap example
443 +        for testing purposes
444 +
445 + 2005-05-17 17:35  chrisfen
446 +
447 +        * ChangeLog, forceFields/DUFF2.frc, samples/water/dimer/ssd.md,
448 +        samples/water/dimer/water.md, src/UseTheForce/DUFF.cpp,
449 +        src/UseTheForce/doForces.F90,
450 +        src/UseTheForce/DarkSide/electrostatic.F90,
451 +        src/UseTheForce/DarkSide/electrostatic_interface.F90,
452 +        src/UseTheForce/DarkSide/sticky.F90: Modifications to tap.  Also
453 +        correcting changes to the previous merge that were not caught
454 +
455 + 2005-05-16 23:20  chuckv
456 +
457 +        * src/types/: DirectionalAtomType.cpp, DirectionalAtomType.hpp:
458 +        Fixed merge issues between Kyle and Chris so OOPSE will actually
459 +        build.
460 +
461 + 2005-05-16 22:46  kdaily
462 +
463 +        * src/io/: GayBerneAtomTypesSectionParser.cpp,
464 +        GayBerneAtomTypesSectionParser.hpp, Makefile: help
465 +
466 + 2005-05-16 21:08  kdaily
467 +
468 +        * forceFields/DUFF2.frc, src/UseTheForce/doForces.F90,
469 +        src/UseTheForce/DarkSide/gb.F90, src/io/Makefile,
470 +        src/types/DirectionalAtomType.cpp,
471 +        src/types/DirectionalAtomType.hpp: added gb
472 +
473 + 2005-05-13 15:36  chrisfen
474 +
475 +        * forceFields/DUFF2.frc: Better tap
476 +
477 + 2005-05-12 14:43  chrisfen
478 +
479 +        * forceFields/DUFF2.frc, samples/water/dimer/ssd.in,
480 +        samples/water/dimer/ssd.md, src/UseTheForce/DarkSide/sticky.F90,
481 +        src/applications/dump2Xyz/Dump2XYZ.cpp,
482 +        src/visitors/AtomVisitor.hpp: Couple of changes for TAP water.
483 +        Need to parametrize.
484 +
485 + 2005-05-11 18:15  chuckv
486 +
487 +        * src/: io/ShapeAtomTypesSectionParser.cpp,
488 +        math/RealSphericalHarmonic.cpp, utils/CaseConversion.hpp: Fixed
489 +        build issues under ifc7.
490 +
491 + 2005-05-09 17:07  chuckv
492 +
493 +        * src/applications/nanoRodBuilder/Geometry.hpp: More geometry
494 +        builder changes.
495 +
496 + 2005-05-05 10:06  chrisfen
497 +
498 +        * forceFields/DUFF2.frc, samples/water/ssde/water.md: Changed SHED
499 +        to TAP
500 +
501 + 2005-05-05 09:47  chrisfen
502 +
503 +        * forceFields/DUFF2.frc, samples/water/ssde/ssde.md,
504 +        samples/water/ssde/water.md, src/UseTheForce/DUFF.cpp,
505 +        src/UseTheForce/doForces.F90, src/UseTheForce/DarkSide/Makefile,
506 +        src/UseTheForce/DarkSide/atype.F90,
507 +        src/UseTheForce/DarkSide/atype_interface.F90,
508 +        src/UseTheForce/DarkSide/simulation.F90,
509 +        src/UseTheForce/DarkSide/sticky.F90, src/brains/SimInfo.cpp,
510 +        src/brains/fSimulation.h, src/io/Makefile,
511 +        src/io/StickyAtomTypesSectionParser.cpp,
512 +        src/io/StickyPowerAtomTypesSectionParser.cpp,
513 +        src/io/StickyPowerAtomTypesSectionParser.hpp,
514 +        src/types/AtomType.cpp, src/types/AtomType.hpp,
515 +        src/types/AtomTypeProperties.h, src/types/DirectionalAtomType.cpp,
516 +        src/types/DirectionalAtomType.hpp: OOPSE setup for TAP water.  It's
517 +        not parametrized, but OOPSE will now let me run it...
518 +
519 + 2005-05-03 17:55  chuckv
520 +
521 +        * src/applications/nanoRodBuilder/: Geometry.cpp, Geometry.hpp,
522 +        GeometryCreator.hpp, GeometryFactory.cpp, GeometryFactory.hpp:
523 +        Adding support for generic geometry to nanorodbuilder.
524 +
525 + 2005-05-03 12:55  chuckv
526 +
527 +        * src/applications/nanoRodBuilder/: GeometryBuilder.cpp,
528 +        nanorodBuilder.cpp, nanorodBuilder.ggo, nanorodBuilderCmd.c,
529 +        nanorodBuilderCmd.h: More changes to nanoRodBuilder....
530 +
531 + 2005-04-29 14:16  gezelter
532 +
533 +        * make/Makefile.in: [no log message]
534 +
535 + 2005-04-29 11:26  chrisfen
536 +
537 +        * forceFields/DUFF2.frc, samples/water/spce/water.md,
538 +        samples/water/ssd/water.md, samples/water/ssd-ion/ssdCl.md,
539 +        samples/water/ssd-ion/water.md, samples/water/ssde/water.md,
540 +        samples/water/ssdrf/water.md, samples/water/tip3p_ice/water.md,
541 +        samples/water/tip4p/water.md: Added TIP4P-Ew
542 +
543 + 2005-04-27 19:24  chuckv
544 +
545 +        * src/applications/nanoRodBuilder/: GeometryBuilder.cpp,
546 +        GeometryBuilder.hpp, nanorodBuilder.cpp, nanorodBuilder.ggo,
547 +        nanorodBuilderCmd.c, nanorodBuilderCmd.h: Fixed issues with
548 +        nanoRodBuilder....
549 +
550 + 2005-04-27 15:13  chrisfen
551 +
552 +        * samples/shape/Shapes.frc, samples/shape/linear.shape,
553 +        src/UseTheForce/DarkSide/atype.F90,
554 +        src/UseTheForce/DarkSide/shapes.F90,
555 +        src/UseTheForce/DarkSide/shapes_interface.F90,
556 +        src/types/AtomType.cpp, src/types/ShapeAtomType.cpp: Got rid of
557 +        write statements and am closer to a working shapes
558 +
559 + 2005-04-22 16:57  chuckv
560 +
561 +        * src/utils/Predicate.hpp: Fixed gcc4 bug...
562 +
563 + 2005-04-22 16:52  tim
564 +
565 +        * src/utils/: CaseConversion.hpp, Predicate.hpp, Trim.cpp,
566 +        Trim.hpp: adding CharClassificationFunctor to fix the locale
567 +        problem  of c++
568 +
569 + 2005-04-21 09:12  chrisfen
570 +
571 +        * samples/shape/Shapes.frc, samples/shape/linear.in,
572 +        samples/shape/linear.md, src/UseTheForce/ForceField.hpp,
573 +        src/UseTheForce/ForceFieldFactory.hpp, src/UseTheForce/Makefile,
574 +        src/UseTheForce/SHAPES_FF.cpp, src/UseTheForce/SHAPES_FF.hpp,
575 +        src/UseTheForce/doForces.F90, src/UseTheForce/DarkSide/atype.F90,
576 +        src/UseTheForce/DarkSide/shapes.F90,
577 +        src/UseTheForce/DarkSide/shapes_interface.F90,
578 +        src/UseTheForce/DarkSide/shapes_interface.h,
579 +        src/brains/Register.cpp, src/brains/SimCreator.cpp,
580 +        src/io/Makefile, src/io/SectionParser.cpp,
581 +        src/io/SectionParser.hpp, src/io/SectionParserManager.cpp,
582 +        src/io/ShapeAtomTypesSectionParser.cpp,
583 +        src/io/ShapeAtomTypesSectionParser.hpp, src/math/Makefile,
584 +        src/types/AtomType.cpp, src/types/ShapeAtomType.cpp,
585 +        src/types/ShapeAtomType.hpp: Shapes is limping along with a array
586 +        bounds overwrite (I think...). At least the parser loads the
587 +        forcefield fine...
588 +
589 + 2005-04-18 10:44  chrisfen
590 +
591 +        * src/UseTheForce/Shapes_FF.cpp: axed because file causes havoc on
592 +        Mac (capitalization confusion of filenames)
593 +
594 + 2005-04-17 22:50  chrisfen
595 +
596 +        * src/: UseTheForce/SHAPES_FF.cpp, UseTheForce/SHAPES_FF.hpp,
597 +        UseTheForce/Shapes_FF.cpp,
598 +        io/DirectionalAtomTypesSectionParser.cpp,
599 +        io/ShapeAtomTypesSectionParser.cpp,
600 +        io/ShapeAtomTypesSectionParser.hpp: Working on the shapes parser...
601 +
602 + 2005-04-15 17:43  gezelter
603 +
604 +        * README: gmake in case people forget
605 +
606 + 2005-04-15 17:40  gezelter
607 +
608 +        * src/applications/oopse/oopse.cpp: fixed the spacing on the
609 +        banner.  Vanity.
610 +
611 + 2005-04-15 17:22  gezelter
612 +
613 +        * src/: config.h.in, applications/oopse/oopse.cpp: Version string
614 +        in banner (and version numbers in config.h)
615 +
616 + 2005-04-15 17:22  gezelter
617 +
618 +        * ChangeLog, LICENSE, README: Documentation changes
619 +
620   2005-04-15 17:03  gezelter
621  
622          * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
# Line 5454 | Line 6073
6073  
6074   2004-09-29 12:56  gezelter
6075  
6076 <        * make/: Make.conf.in, Makefile.in: Working on make stuff
6076 >        * make/: Make.conf.in, Makefile.in, _files/style.css: Working on
6077 >        make stuff
6078  
6079   2004-09-29 12:46  tim
6080  
# Line 5720 | Line 6340
6340          src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
6341          src/visitors/RigidBodyVisitor.cpp,
6342          src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
6343 <        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
6343 >        src/visitors/ZconsVisitor.hpp, make/Makefile,
6344 >        make/_files/style.css, samples/Makefile.in,
6345          samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
6346          samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
6347          samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
# Line 5895 | Line 6516
6516          src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
6517          src/visitors/RigidBodyVisitor.cpp,
6518          src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
6519 <        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
6519 >        src/visitors/ZconsVisitor.hpp, make/Makefile,
6520 >        make/_files/style.css, samples/Makefile.in,
6521          samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
6522          samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
6523          samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,

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