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Comparing trunk/OOPSE/ChangeLog (file contents):
Revision 894 by chuckv, Mon Jan 5 21:00:05 2004 UTC vs.
Revision 1066 by tim, Tue Feb 24 16:36:33 2004 UTC

# Line 1 | Line 1
1 + 2004-02-24 10:49  tim
2 +
3 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
4 +        Constraint.cpp, Constraint.hpp, ConstraintList.cpp,
5 +        ConstraintList.hpp, Minimizer.hpp, Minimizer1D.cpp,
6 +        Minimizer1D.hpp, MinimizerBase.hpp, NLModel.hpp, NLModel0.cpp,
7 +        NLModel1.cpp, NonlinearCons.cpp, NonlinearCons.hpp,
8 +        OOPSEMinimizerBase.cpp, SteepestDescent.cpp, SteepestDescent.hpp,
9 +        SymMatrix.hpp: remove the old implement of minimizer from cvs tree
10 +
11 + 2004-02-24 10:44  tim
12 +
13 +        * libmdtools/: CGFamilyMinimizer.cpp, ConjugateMinimizer.cpp,
14 +        Integrator.hpp, Makefile.in, Minimizer1D.cpp,
15 +        MinimizerParameterSet.hpp, OOPSEMinimizer.cpp, OOPSEMinimizer.hpp,
16 +        OOPSEMinimizerBase.cpp, PRCG.cpp, SDMinimizer.cpp, SimInfo.hpp,
17 +        SimSetup.cpp, Utility.cpp, Utility.hpp: Using inherit instead of
18 +        compose to implement Minimizer both versions are working
19 +
20 + 2004-02-17 14:23  tim
21 +
22 +        * ChangeLog, libmdtools/ConjugateMinimizer.cpp,
23 +        libmdtools/Integrator.cpp, libmdtools/Integrator.hpp,
24 +        libmdtools/Minimizer1D.cpp, libmdtools/Minimizer1D.hpp,
25 +        libmdtools/MinimizerParameterSet.hpp,
26 +        libmdtools/OOPSEMinimizerBase.cpp: adding function shakeF in order
27 +        to remove the constraint force along bond direction
28 +
29 + 2004-02-10 16:33  tim
30 +
31 +        * ChangeLog, libmdtools/ConjugateMinimizer.cpp,
32 +        libmdtools/DirectionalAtom.cpp, libmdtools/OOPSEMinimizerBase.cpp:
33 +        single version of energy minimization is working.
34 +
35 + 2004-02-09 15:38  mmeineke
36 +
37 +        * staticProps/: AllCorr.cpp, staticProps.cpp:  started a bug fix on
38 +        the massive memory overusage by OOPSE
39 +
40 + 2004-02-09 09:48  chrisfen
41 +
42 +        * libmdtools/: SimSetup.cpp, calc_LJ_FF.F90: Stripped out the
43 +        hardwired LJ_rcut
44 +
45 + 2004-02-06 19:14  tim
46 +
47 +        * libmdtools/: SymMatrix.hpp, Utility.cpp, Utility.hpp: [no log
48 +        message]
49 +
50 + 2004-02-06 16:37  tim
51 +
52 +        * ChangeLog, libBASS/Globals.cpp,
53 +        libmdtools/ConjugateMinimizer.cpp, libmdtools/Integrator.cpp,
54 +        libmdtools/Integrator.hpp, libmdtools/OOPSEMinimizerBase.cpp,
55 +        libmdtools/SimSetup.cpp, samples/water/ssd.bass: Single version of
56 +        energy minimization for argon is working, need to add constraint
57 +
58 + 2004-02-06 14:05  tim
59 +
60 +        * libmdtools/: AllIntegrator.hpp, Makefile.in, SimSetup.cpp: Add
61 +        one more file into Makefile.in
62 +
63 + 2004-02-06 13:58  tim
64 +
65 +        * ChangeLog, libBASS/Globals.cpp, libBASS/Globals.hpp,
66 +        libmdtools/AllIntegrator.hpp, libmdtools/ConjugateMinimizer.cpp,
67 +        libmdtools/ConjugateMinimizer.hpp, libmdtools/Functor.hpp,
68 +        libmdtools/Integrator.hpp, libmdtools/Makefile.in,
69 +        libmdtools/Minimizer.hpp, libmdtools/Minimizer1D.cpp,
70 +        libmdtools/Minimizer1D.hpp, libmdtools/MinimizerBase.hpp,
71 +        libmdtools/MinimizerParameterSet.hpp, libmdtools/NLModel.hpp,
72 +        libmdtools/NLModel1.cpp, libmdtools/OOPSEMinimizerBase.cpp,
73 +        libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp,
74 +        libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp, src/oose.cpp: Add
75 +        some lines into global.cpp to make it work with energy minimization
76 +
77 + 2004-02-04 17:26  tim
78 +
79 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
80 +        Constraint.hpp, Functor.hpp, Minimizer.hpp, Minimizer1D.cpp,
81 +        Minimizer1D.hpp, MinimizerBase.hpp, MinimizerParameterSet.hpp,
82 +        NLModel.hpp, NLModel0.cpp, NLModel1.cpp: Fix a bunch of bugs   :-)
83 +        Single version of conjugate gradient with golden search linesearch
84 +        pass a couple of functions test. Brent's  algorithm is still broken
85 +
86 + 2004-02-03 17:54  tim
87 +
88 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
89 +        Minimizer1D.cpp, Minimizer1D.hpp, MinimizerParameterSet.hpp,
90 +        NLModel.hpp, NLModel0.cpp, NLModel1.cpp, SteepestDescent.cpp,
91 +        SteepestDescent.hpp: NLModel0, NLModel1 pass uit test
92 +
93 + 2004-02-03 15:47  tim
94 +
95 +        * libmdtools/: ConjugateMinimizer.cpp, ConstraintList.cpp,
96 +        ConstraintList.hpp, LinearCons.cpp, LinearCons.hpp, Minimizer.hpp,
97 +        NonlinearCons.cpp, NonlinearCons.hpp, OOPSEMinimizerBase.cpp,
98 +        SimpleBoundCons.cpp, SimpleBoundCons.hpp, SteepestDescent.cpp,
99 +        SteepestDescent.hpp: [no log message]
100 +
101 + 2004-02-03 15:43  tim
102 +
103 +        * libmdtools/: ConjugateMinimizer.hpp, Constraint.cpp,
104 +        Constraint.hpp, Integrator.hpp, Minimizer1D.cpp, Minimizer1D.hpp,
105 +        MinimizerBase.hpp, MinimizerParameterSet.hpp, NLModel.hpp,
106 +        NLModel0.cpp, NLModel1.cpp: to avoid cyclic depency, refactory
107 +        constraint class
108 +
109 + 2004-02-03 12:10  tim
110 +
111 +        * libmdtools/Functor.hpp: Functor.hpp pass unit test
112 +
113 + 2004-02-03 10:21  tim
114 +
115 +        * ChangeLog, libmdtools/Minimizer1D.cpp,
116 +        libmdtools/Minimizer1D.hpp: begin unit test of minimizer
117 +
118 + 2004-02-02 15:29  tim
119 +
120 +        * libmdtools/: ConjugateMinimizer.hpp, Minimizer1D.cpp,
121 +        Minimizer1D.hpp, MinimizerBase.hpp, MinimizerParameterSet.hpp:
122 +        Adding GoldenSection and Brent LineSearch Method
123 +
124 + 2004-01-30 16:47  tim
125 +
126 +        * libmdtools/: ConjugateMinimizer.hpp, DumpWriter.cpp,
127 +        MinimizerBase.hpp, MinimizerParameterSet.hpp, NLModel.hpp,
128 +        NLModel0.cpp, NLModel1.cpp: using class  Minimizer1D derived from
129 +        MinimizerBase instead of a functor to do line seach
130 +
131 + 2004-01-30 10:00  chrisfen
132 +
133 +        * forceFields/Makefile.in, libmdtools/Atom.cpp,
134 +        libmdtools/Atom.hpp, libmdtools/ForceFields.hpp,
135 +        libmdtools/Integrator.cpp, libmdtools/Makefile.in,
136 +        libmdtools/SimInfo.cpp, libmdtools/SimSetup.cpp,
137 +        libmdtools/WATER.cpp, libmdtools/calc_LJ_FF.F90,
138 +        libmdtools/calc_reaction_field.F90, libmdtools/do_Forces.F90,
139 +        libmdtools/fortranWrapDefines.hpp: Substantial changes. OOPSE now
140 +        has a working WATER.cpp forcefield and parser.  This involved
141 +        changes to WATER.cpp and ForceFields amoung other files. One
142 +        important note: a hardwiring of LJ_rcut was made in calc_LJ_FF.F90.
143 +        This will be removed on the next commit...
144 +
145 + 2004-01-29 18:00  gezelter
146 +
147 +        * libBASS/BASS_interface.cpp, libBASS/BASS_interface.h,
148 +        libBASS/BASS_parse.c, libBASS/BASSlex.l, libBASS/BASSyacc.y,
149 +        libBASS/MakeStamps.cpp, libBASS/MakeStamps.hpp,
150 +        libBASS/Makefile.in, libBASS/RigidBodyStamp.cpp,
151 +        libBASS/RigidBodyStamp.hpp, libBASS/interface.c,
152 +        libBASS/make_nodes.c, libBASS/make_nodes.h, libBASS/mpiBASS.c,
153 +        libBASS/mpiBASS.h, libBASS/node_list.h, libBASS/parse_interface.h,
154 +        libBASS/parse_tree.c, libmdtools/Make.dep, samples/water/water.mdl:
155 +        member list fixes for rigid bodies
156 +
157 + 2004-01-29 16:44  tim
158 +
159 +        * libmdtools/MinimizerParameterSet.hpp: Adding
160 +        MinimizerParameterSet class.
161 +
162 + 2004-01-28 17:44  tim
163 +
164 +        * libmdtools/: NLModel.hpp, NLModel0.cpp, NLModel1.cpp: Revision of
165 +        NLModel0 and NLModel1
166 +
167 + 2004-01-28 15:40  tim
168 +
169 +        * libmdtools/: Constraint.hpp, NLModel.hpp, NLOPModel.hpp: revision
170 +        of NLModel
171 +
172 + 2004-01-27 15:34  gezelter
173 +
174 +        * samples/water/: ssd.bass, water.mdl: Added point-charge models to
175 +        water.mdl file, updated ssd.bass to use new SSD name
176 +
177 + 2004-01-27 15:34  gezelter
178 +
179 +        * libBASS/: BASS_interface.cpp, MakeStamps.cpp, MakeStamps.hpp,
180 +        MemberStamp.cpp, MemberStamp.hpp, node_list.h: Fix to new RigidBody
181 +        stuff
182 +
183 + 2004-01-27 14:39  gezelter
184 +
185 +        * samples/water/ssd.bass: Longer run time to test SSD water in MPI
186 +
187 + 2004-01-27 14:39  gezelter
188 +
189 +        * samples/metals/Au.bass: Longer run time to test gold in MPI
190 +
191 + 2004-01-27 14:38  gezelter
192 +
193 +        * samples/argon/argon.bass: Longer run time to test argon
194 +
195 + 2004-01-27 14:38  gezelter
196 +
197 +        * libmdtools/: Make.dep, WATER.cpp, mpiSimulation.cpp: More BASS
198 +        changes to do new rigidBody scheme a copy of WATER.cpp from this
199 +        morning
200 +
201 + 2004-01-27 14:37  gezelter
202 +
203 +        * libBASS/: BASS_interface.cpp, BASS_interface.h, BASS_parse.c,
204 +        BASSyacc.y, MakeStamps.cpp, MakeStamps.hpp, Makefile.in,
205 +        MemberStamp.cpp, MemberStamp.hpp, MoleculeStamp.cpp,
206 +        MoleculeStamp.hpp, RigidBodyStamp.cpp, RigidBodyStamp.hpp,
207 +        interface.c, make_nodes.c, make_nodes.h, mpiBASS.c, mpiBASS.h,
208 +        node_list.h, parse_interface.h, parse_tree.c: More BASS changes to
209 +        do new rigidBody scheme
210 +
211 + 2004-01-27 14:15  tim
212 +
213 +        * libmdtools/: AbstractClasses.hpp, ConjugateMinimizer.hpp,
214 +        Constraint.cpp, Constraint.hpp, Functor.hpp, Integrator.hpp,
215 +        MinimizerBase.hpp, NLOPConstraint.hpp, NLOPModel.hpp: revision of
216 +        constraint for Nonlinear Optimization Model
217 +
218 + 2004-01-26 17:01  gezelter
219 +
220 +        * utils/sysbuilder/MoLocator.cpp: Changes to BASS reader to use
221 +        Euler angles for orientation instead of unit vectors required
222 +        changes in MoLocator
223 +
224 + 2004-01-26 16:53  gezelter
225 +
226 +        * samples/: alkane/alkanes.mdl, beadLipid/beadLipid.mdl,
227 +        beadLipid/water.mdl, lipid/lipid.mdl, lipid/water.mdl,
228 +        water/water.mdl: Changed orientation lines from unit vectors to
229 +        euler angles
230 +
231 + 2004-01-26 16:52  gezelter
232 +
233 +        * libmdtools/SimSetup.cpp: Convert Eulers in degrees into radians
234 +
235 + 2004-01-26 16:45  gezelter
236 +
237 +        * libmdtools/SimSetup.cpp: Changed default orientation in BASS to
238 +        use Euler angles in the following order: phi, theta, psi Removed
239 +        the ability to set orientation using a unit vector
240 +
241 + 2004-01-26 16:26  gezelter
242 +
243 +        * libBASS/: AtomStamp.cpp, AtomStamp.hpp, RigidBodyStamp.cpp,
244 +        RigidBodyStamp.hpp: Changed default orientation in BASS to use
245 +        Euler angles in the following order: phi, theta, psi Removed the
246 +        ability to set orientation using a unit vector
247 +
248 + 2004-01-26 13:52  gezelter
249 +
250 +        * libBASS/: BASS_interface.cpp, MakeStamps.cpp, MakeStamps.hpp,
251 +        MoleculeStamp.cpp: Fix broken atom assignment for rigid bodies
252 +
253 + 2004-01-22 12:34  chrisfen
254 +
255 +        * libmdtools/: DUFF.cpp, EAM_FF.cpp, ForceFields.hpp, LJFF.cpp,
256 +        TraPPE_ExFF.cpp, WATER.cpp, mpiForceField.c, mpiForceField.h:
257 +        Corrected spelling in several directories, and stated WATER.cpp
258 +
259 + 2004-01-21 17:16  tim
260 +
261 +        * libmdtools/: MinimizerBase.hpp, NLOPConstraint.hpp,
262 +        NLOPModel.hpp: constraint class in energy minimization
263 +
264 + 2004-01-20 15:34  tim
265 +
266 +        * libmdtools/MinimizerBase.hpp: Adding energy minimization
267 +
268 + 2004-01-20 15:32  tim
269 +
270 +        * libmdtools/: ConjugateMinimizer.hpp, Integrator.hpp,
271 +        NLOPConstraint.hpp, NLOPModel.hpp: Energy Minimizer
272 +
273 + 2004-01-19 16:17  gezelter
274 +
275 +        * libmdtools/: SimInfo.cpp, SimSetup.cpp: Made some error messages
276 +        more user-friendly
277 +
278 + 2004-01-19 13:51  chrisfen
279 +
280 +        * forceFields/DUFF.frc: Updated the default water to SSD/E
281 +
282 + 2004-01-19 13:36  tim
283 +
284 +        * libmdtools/: Functor.hpp, SimSetup.cpp: Adding warning if sample
285 +        time, status time, thermal time and reset time are not divisible by
286 +        dt
287 +
288 + 2004-01-19 11:10  gezelter
289 +
290 +        * third-party/Makefile.in: Added a bunch of dummy targets so make
291 +        won't complain
292 +
293 + 2004-01-19 11:10  gezelter
294 +
295 +        * samples/lipid/5x5.bass: Fixed old bass file
296 +
297 + 2004-01-19 11:09  gezelter
298 +
299 +        * libmdtools/mpiSimulation.cpp: BASS changes to add RigidBodies
300 +        required a change in how the MoleculeStamps are used by divideLabor
301 +        in mpiSimulation.cpp
302 +
303 + 2004-01-19 11:08  gezelter
304 +
305 +        * libBASS/: BASS_interface.cpp, BASS_interface.h, BASS_parse.c,
306 +        BASSyacc.y, Globals.cpp, Globals.hpp, MakeStamps.cpp,
307 +        MakeStamps.hpp, Makefile.in, MoleculeStamp.cpp, MoleculeStamp.hpp,
308 +        RigidBodyStamp.cpp, RigidBodyStamp.hpp, interface.c, make_nodes.c,
309 +        make_nodes.h, mpiBASS.c, mpiBASS.h, node_list.h, parse_interface.h,
310 +        parse_tree.c: BASS changes to add RigidBodies and LJrcut
311 +
312 + 2004-01-16 16:55  tim
313 +
314 +        * libmdtools/: DumpWriter.cpp, EAM_FF.cpp: fix a bug in creating
315 +        eor file
316 +
317 + 2004-01-16 16:51  mmeineke
318 +
319 +        * libmdtools/DumpWriter.cpp: fixed a bug where only MPI jobs could
320 +        write eor files
321 +
322 + 2004-01-16 10:01  mmeineke
323 +
324 +        * libmdtools/DUFF.cpp: fixed an struct mismatch error in the mpi
325 +        initialization of the AtomStruct
326 +
327 + 2004-01-15 16:57  chuckv
328 +
329 +        * configure, libmdtools/DumpWriter.cpp: Fixes for Dumps
330 +
331 + 2004-01-15 10:51  gezelter
332 +
333 +        * ac-tools/aclocal.m4: Changes for altivec
334 +
335 + 2004-01-15 09:22  gezelter
336 +
337 +        * libmdtools/DumpWriter.cpp: Documented the Spud Toss
338 +
339 + 2004-01-14 23:33  gezelter
340 +
341 +        * libmdtools/do_Forces.F90: changes for charge charge interactions
342 +
343 + 2004-01-14 20:14  gezelter
344 +
345 +        * libmdtools/: calc_charge_charge.F90, calc_dipole_dipole.F90,
346 +        notifyCutoffs.F90: More work for adding charges
347 +
348 + 2004-01-14 17:41  gezelter
349 +
350 +        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
351 +        src/Makefile.in: autoconf fixes
352 +
353 + 2004-01-14 11:28  mmeineke
354 +
355 +        * utils/sysbuilder/latticeBilayer.cpp: fixed a periodic box bug
356 +
357 + 2004-01-14 10:48  gezelter
358 +
359 +        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
360 +        src/Makefile.in, third-party/Makefile.in: autoconf compatibility
361 +        changes for icc8
362 +
363 + 2004-01-13 18:01  gezelter
364 +
365 +        * libmdtools/: DUFF.cpp, EAM_FF.cpp, LJFF.cpp, SimInfo.cpp,
366 +        SimInfo.hpp, TraPPE_ExFF.cpp, atype_module.F90, do_Forces.F90,
367 +        fSimulation.h, fortranWrapDefines.hpp, simulation_module.F90:
368 +        Changes for adding direct charge-charge interactions (with
369 +        switching function)
370 +
371 + 2004-01-13 17:34  gezelter
372 +
373 +        * libmdtools/: Make.dep, Makefile.in, calc_charge_charge.F90,
374 +        oopseMPI_module.F90: Some changes for new MPI organization and
375 +        direct charge-charge interactions
376 +
377 + 2004-01-13 17:11  tim
378 +
379 +        * Functor.hpp, libmdtools/Functor.hpp: [no log message]
380 +
381 + 2004-01-13 16:22  tim
382 +
383 +        * Functor.hpp, samples/water/ssd.bass: Energy Minimization method
384 +
385 + 2004-01-13 15:35  tim
386 +
387 +        * libmdtools/: DumpWriter.cpp, ReadWrite.hpp: open and close the
388 +        eor file whenever it is used instead of rewinding it
389 +
390 + 2004-01-13 15:04  tim
391 +
392 +        * libmdtools/: DumpWriter.cpp, ReadWrite.hpp: change the interface
393 +        of writeFrame
394 +
395 + 2004-01-13 10:46  tim
396 +
397 +        * libmdtools/: DumpWriter.cpp, Integrator.cpp, ReadWrite.hpp:
398 +        Merge the code of writeFinal and writeDump;
399 +         Adding sortingIndex into DumpWriter;
400 +         Fix a bug of writing last frame twice in integrator
401 +
402 + 2004-01-12 17:54  tim
403 +
404 +        * ChangeLog, libmdtools/DumpWriter.cpp, samples/water/ssd.bass: fix
405 +        a bug in copying string
406 +
407 + 2004-01-12 15:37  tim
408 +
409 +        * ChangeLog, libmdtools/DumpWriter.cpp, samples/argon/argon.bass,
410 +        samples/water/ssd.bass: Dumpwriter only write out the atoms on
411 +        master nodes
412 +
413 + 2004-01-10 04:46  tim
414 +
415 +        * ChangeLog, libmdtools/DumpWriter.cpp: tagub is not a bug. Just
416 +        roll it back fix a bug of copying string to a pointer Still have
417 +        Seg fault, it looks like a random MPI seg fault in totalview
418 +
419 + 2004-01-09 21:15  tim
420 +
421 +        * libmdtools/DumpWriter.cpp: Fix a bug of declaration of tagub
422 +
423 + 2004-01-09 15:29  gezelter
424 +
425 +        * libmdtools/DumpWriter.cpp: New DumpWriter (Attempt #4)
426 +
427 + 2004-01-08 17:25  chuckv
428 +
429 +        * libmdtools/DumpWriter.cpp: A work in progress...
430 +
431 + 2004-01-08 13:59  gezelter
432 +
433 +        * libmdtools/DumpWriter.cpp: null terminate some strings just in
434 +        case
435 +
436 + 2004-01-08 13:13  mmeineke
437 +
438 +        * libmdtools/InitializeFromFile.cpp: refixed the NVT readin XS
439 +        state bug.
440 +
441 + 2004-01-08 13:05  gezelter
442 +
443 +        * libmdtools/DumpWriter.cpp: added strncpy to DumpWriter
444 +
445 + 2004-01-08 12:57  mmeineke
446 +
447 +        * libmdtools/InitializeFromFile.cpp: fixed the restart from NVT
448 +        exstended state bug
449 +
450 + 2004-01-08 12:40  gezelter
451 +
452 +        * libmdtools/DumpWriter.cpp: First Stab at fixing DumpWriter
453 +
454 + 2004-01-08 10:44  mmeineke
455 +
456 +        * libmdtools/InitializeFromFile.cpp: added support for the ignore
457 +        XS state info  flag
458 +
459 + 2004-01-07 14:26  tim
460 +
461 +        * libmdtools/DumpWriter.cpp, libmdtools/InitializeFromFile.cpp,
462 +        samples/argon/argon.bass, samples/water/ssd.bass: Fixed a bug of
463 +        sending message from master node to itself in DumpWriter.cpp and
464 +        InitializeFromFile.cpp
465 +
466 + 2004-01-06 14:49  chuckv
467 +
468 +        * libmdtools/: calc_dipole_dipole.F90, calc_reaction_field.F90:
469 +        performance fixes in the dipole dipole and reaction field code
470 +
471 + 2004-01-06 13:54  chuckv
472 +
473 +        * libmdtools/: calc_LJ_FF.F90, do_Forces.F90: Making do_Forces a
474 +        little more sane
475 +
476 + 2004-01-05 17:49  chuckv
477 +
478 +        * libmdtools/: calc_LJ_FF.F90, calc_dipole_dipole.F90,
479 +        calc_eam.F90, calc_gb.F90, calc_reaction_field.F90,
480 +        calc_sticky_pair.F90, do_Forces.F90: Attempting to increase
481 +        performance by reducing spurious function calls
482 +
483 + 2004-01-05 17:18  chuckv
484 +
485 +        * libmdtools/do_Forces.F90: mangling forces even further
486 +
487 + 2004-01-05 17:18  chuckv
488 +
489 +        * configure, ac-tools/configure.in: mpich mucking
490 +
491 + 2004-01-05 17:12  chuckv
492 +
493 +        * libmdtools/do_Forces.F90: mangled do_forces...
494 +
495 + 2004-01-05 16:00  chuckv
496 +
497 +        * ChangeLog, ac-tools/configure.in, libmdtools/atype_module.F90,
498 +        libmdtools/do_Forces.F90: Added bitmask to do_forces property
499 +        lookup
500 +
501   2003-12-29 14:56  chuckv
502  
503          * samples/metals/Au.bass, third-party/mt19937ar.c: Added
# Line 2178 | Line 2678
2678  
2679   2003-03-25 09:29  mmeineke
2680  
2681 <        * libBASS/obj/dummy, libmdtools/MPIobj/dummy, libmdtools/obj/dummy,
2681 >        * libBASS/obj/dummy, libmdtools/obj/dummy, libmdtools/MPIobj/dummy,
2682          src/MPIobj/dummy, src/obj/dummy: [no log message]
2683  
2684   2003-03-25 09:29  mmeineke
# Line 2332 | Line 2832
2832          libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90,
2833          libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp,
2834          libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90,
2835 <        libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE
2836 <        Tree
2835 >        libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial
2836 >        revision
2837  
2838   2003-03-21 12:42  mmeineke
2839  
# Line 2390 | Line 2890
2890          libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90,
2891          libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp,
2892          libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90,
2893 <        libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial
2894 <        revision
2893 >        libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE
2894 >        Tree
2895  

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