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Comparing trunk/OOPSE/ChangeLog (file contents):
Revision 894 by chuckv, Mon Jan 5 21:00:05 2004 UTC vs.
Revision 1074 by tim, Mon Mar 1 20:01:50 2004 UTC

# Line 1 | Line 1
1 + 2004-02-24 11:36  tim
2 +
3 +        * ChangeLog, libBASS/Globals.cpp, libBASS/Globals.hpp,
4 +        libmdtools/PRCG.cpp, libmdtools/SimSetup.cpp, src/oose.cpp: [no log
5 +        message]
6 +
7 + 2004-02-24 10:49  tim
8 +
9 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
10 +        Constraint.cpp, Constraint.hpp, ConstraintList.cpp,
11 +        ConstraintList.hpp, Minimizer.hpp, Minimizer1D.cpp,
12 +        Minimizer1D.hpp, MinimizerBase.hpp, NLModel.hpp, NLModel0.cpp,
13 +        NLModel1.cpp, NonlinearCons.cpp, NonlinearCons.hpp,
14 +        OOPSEMinimizerBase.cpp, SteepestDescent.cpp, SteepestDescent.hpp,
15 +        SymMatrix.hpp: remove the old implement of minimizer from cvs tree
16 +
17 + 2004-02-24 10:44  tim
18 +
19 +        * libmdtools/: CGFamilyMinimizer.cpp, ConjugateMinimizer.cpp,
20 +        Integrator.hpp, Makefile.in, Minimizer1D.cpp,
21 +        MinimizerParameterSet.hpp, OOPSEMinimizer.cpp, OOPSEMinimizer.hpp,
22 +        OOPSEMinimizerBase.cpp, PRCG.cpp, SDMinimizer.cpp, SimInfo.hpp,
23 +        SimSetup.cpp, Utility.cpp, Utility.hpp: Using inherit instead of
24 +        compose to implement Minimizer both versions are working
25 +
26 + 2004-02-17 14:23  tim
27 +
28 +        * ChangeLog, libmdtools/ConjugateMinimizer.cpp,
29 +        libmdtools/Integrator.cpp, libmdtools/Integrator.hpp,
30 +        libmdtools/Minimizer1D.cpp, libmdtools/Minimizer1D.hpp,
31 +        libmdtools/MinimizerParameterSet.hpp,
32 +        libmdtools/OOPSEMinimizerBase.cpp: adding function shakeF in order
33 +        to remove the constraint force along bond direction
34 +
35 + 2004-02-10 16:33  tim
36 +
37 +        * ChangeLog, libmdtools/ConjugateMinimizer.cpp,
38 +        libmdtools/DirectionalAtom.cpp, libmdtools/OOPSEMinimizerBase.cpp:
39 +        single version of energy minimization is working.
40 +
41 + 2004-02-09 15:38  mmeineke
42 +
43 +        * staticProps/: AllCorr.cpp, staticProps.cpp:  started a bug fix on
44 +        the massive memory overusage by OOPSE
45 +
46 + 2004-02-09 09:48  chrisfen
47 +
48 +        * libmdtools/: SimSetup.cpp, calc_LJ_FF.F90: Stripped out the
49 +        hardwired LJ_rcut
50 +
51 + 2004-02-06 19:14  tim
52 +
53 +        * libmdtools/: SymMatrix.hpp, Utility.cpp, Utility.hpp: [no log
54 +        message]
55 +
56 + 2004-02-06 16:37  tim
57 +
58 +        * ChangeLog, libBASS/Globals.cpp,
59 +        libmdtools/ConjugateMinimizer.cpp, libmdtools/Integrator.cpp,
60 +        libmdtools/Integrator.hpp, libmdtools/OOPSEMinimizerBase.cpp,
61 +        libmdtools/SimSetup.cpp, samples/water/ssd.bass: Single version of
62 +        energy minimization for argon is working, need to add constraint
63 +
64 + 2004-02-06 14:05  tim
65 +
66 +        * libmdtools/: AllIntegrator.hpp, Makefile.in, SimSetup.cpp: Add
67 +        one more file into Makefile.in
68 +
69 + 2004-02-06 13:58  tim
70 +
71 +        * ChangeLog, libBASS/Globals.cpp, libBASS/Globals.hpp,
72 +        libmdtools/AllIntegrator.hpp, libmdtools/ConjugateMinimizer.cpp,
73 +        libmdtools/ConjugateMinimizer.hpp, libmdtools/Functor.hpp,
74 +        libmdtools/Integrator.hpp, libmdtools/Makefile.in,
75 +        libmdtools/Minimizer.hpp, libmdtools/Minimizer1D.cpp,
76 +        libmdtools/Minimizer1D.hpp, libmdtools/MinimizerBase.hpp,
77 +        libmdtools/MinimizerParameterSet.hpp, libmdtools/NLModel.hpp,
78 +        libmdtools/NLModel1.cpp, libmdtools/OOPSEMinimizerBase.cpp,
79 +        libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp,
80 +        libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp, src/oose.cpp: Add
81 +        some lines into global.cpp to make it work with energy minimization
82 +
83 + 2004-02-04 17:26  tim
84 +
85 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
86 +        Constraint.hpp, Functor.hpp, Minimizer.hpp, Minimizer1D.cpp,
87 +        Minimizer1D.hpp, MinimizerBase.hpp, MinimizerParameterSet.hpp,
88 +        NLModel.hpp, NLModel0.cpp, NLModel1.cpp: Fix a bunch of bugs   :-)
89 +        Single version of conjugate gradient with golden search linesearch
90 +        pass a couple of functions test. Brent's  algorithm is still broken
91 +
92 + 2004-02-03 17:54  tim
93 +
94 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
95 +        Minimizer1D.cpp, Minimizer1D.hpp, MinimizerParameterSet.hpp,
96 +        NLModel.hpp, NLModel0.cpp, NLModel1.cpp, SteepestDescent.cpp,
97 +        SteepestDescent.hpp: NLModel0, NLModel1 pass uit test
98 +
99 + 2004-02-03 15:47  tim
100 +
101 +        * libmdtools/: ConjugateMinimizer.cpp, ConstraintList.cpp,
102 +        ConstraintList.hpp, LinearCons.cpp, LinearCons.hpp, Minimizer.hpp,
103 +        NonlinearCons.cpp, NonlinearCons.hpp, OOPSEMinimizerBase.cpp,
104 +        SimpleBoundCons.cpp, SimpleBoundCons.hpp, SteepestDescent.cpp,
105 +        SteepestDescent.hpp: [no log message]
106 +
107 + 2004-02-03 15:43  tim
108 +
109 +        * libmdtools/: ConjugateMinimizer.hpp, Constraint.cpp,
110 +        Constraint.hpp, Integrator.hpp, Minimizer1D.cpp, Minimizer1D.hpp,
111 +        MinimizerBase.hpp, MinimizerParameterSet.hpp, NLModel.hpp,
112 +        NLModel0.cpp, NLModel1.cpp: to avoid cyclic depency, refactory
113 +        constraint class
114 +
115 + 2004-02-03 12:10  tim
116 +
117 +        * libmdtools/Functor.hpp: Functor.hpp pass unit test
118 +
119 + 2004-02-03 10:21  tim
120 +
121 +        * ChangeLog, libmdtools/Minimizer1D.cpp,
122 +        libmdtools/Minimizer1D.hpp: begin unit test of minimizer
123 +
124 + 2004-02-02 15:29  tim
125 +
126 +        * libmdtools/: ConjugateMinimizer.hpp, Minimizer1D.cpp,
127 +        Minimizer1D.hpp, MinimizerBase.hpp, MinimizerParameterSet.hpp:
128 +        Adding GoldenSection and Brent LineSearch Method
129 +
130 + 2004-01-30 16:47  tim
131 +
132 +        * libmdtools/: ConjugateMinimizer.hpp, DumpWriter.cpp,
133 +        MinimizerBase.hpp, MinimizerParameterSet.hpp, NLModel.hpp,
134 +        NLModel0.cpp, NLModel1.cpp: using class  Minimizer1D derived from
135 +        MinimizerBase instead of a functor to do line seach
136 +
137 + 2004-01-30 10:00  chrisfen
138 +
139 +        * forceFields/Makefile.in, libmdtools/Atom.cpp,
140 +        libmdtools/Atom.hpp, libmdtools/ForceFields.hpp,
141 +        libmdtools/Integrator.cpp, libmdtools/Makefile.in,
142 +        libmdtools/SimInfo.cpp, libmdtools/SimSetup.cpp,
143 +        libmdtools/WATER.cpp, libmdtools/calc_LJ_FF.F90,
144 +        libmdtools/calc_reaction_field.F90, libmdtools/do_Forces.F90,
145 +        libmdtools/fortranWrapDefines.hpp: Substantial changes. OOPSE now
146 +        has a working WATER.cpp forcefield and parser.  This involved
147 +        changes to WATER.cpp and ForceFields amoung other files. One
148 +        important note: a hardwiring of LJ_rcut was made in calc_LJ_FF.F90.
149 +        This will be removed on the next commit...
150 +
151 + 2004-01-29 18:00  gezelter
152 +
153 +        * libBASS/BASS_interface.cpp, libBASS/BASS_interface.h,
154 +        libBASS/BASS_parse.c, libBASS/BASSlex.l, libBASS/BASSyacc.y,
155 +        libBASS/MakeStamps.cpp, libBASS/MakeStamps.hpp,
156 +        libBASS/Makefile.in, libBASS/RigidBodyStamp.cpp,
157 +        libBASS/RigidBodyStamp.hpp, libBASS/interface.c,
158 +        libBASS/make_nodes.c, libBASS/make_nodes.h, libBASS/mpiBASS.c,
159 +        libBASS/mpiBASS.h, libBASS/node_list.h, libBASS/parse_interface.h,
160 +        libBASS/parse_tree.c, libmdtools/Make.dep, samples/water/water.mdl:
161 +        member list fixes for rigid bodies
162 +
163 + 2004-01-29 16:44  tim
164 +
165 +        * libmdtools/MinimizerParameterSet.hpp: Adding
166 +        MinimizerParameterSet class.
167 +
168 + 2004-01-28 17:44  tim
169 +
170 +        * libmdtools/: NLModel.hpp, NLModel0.cpp, NLModel1.cpp: Revision of
171 +        NLModel0 and NLModel1
172 +
173 + 2004-01-28 15:40  tim
174 +
175 +        * libmdtools/: Constraint.hpp, NLModel.hpp, NLOPModel.hpp: revision
176 +        of NLModel
177 +
178 + 2004-01-27 15:34  gezelter
179 +
180 +        * samples/water/: ssd.bass, water.mdl: Added point-charge models to
181 +        water.mdl file, updated ssd.bass to use new SSD name
182 +
183 + 2004-01-27 15:34  gezelter
184 +
185 +        * libBASS/: BASS_interface.cpp, MakeStamps.cpp, MakeStamps.hpp,
186 +        MemberStamp.cpp, MemberStamp.hpp, node_list.h: Fix to new RigidBody
187 +        stuff
188 +
189 + 2004-01-27 14:39  gezelter
190 +
191 +        * samples/water/ssd.bass: Longer run time to test SSD water in MPI
192 +
193 + 2004-01-27 14:39  gezelter
194 +
195 +        * samples/metals/Au.bass: Longer run time to test gold in MPI
196 +
197 + 2004-01-27 14:38  gezelter
198 +
199 +        * samples/argon/argon.bass: Longer run time to test argon
200 +
201 + 2004-01-27 14:38  gezelter
202 +
203 +        * libmdtools/: Make.dep, WATER.cpp, mpiSimulation.cpp: More BASS
204 +        changes to do new rigidBody scheme a copy of WATER.cpp from this
205 +        morning
206 +
207 + 2004-01-27 14:37  gezelter
208 +
209 +        * libBASS/: BASS_interface.cpp, BASS_interface.h, BASS_parse.c,
210 +        BASSyacc.y, MakeStamps.cpp, MakeStamps.hpp, Makefile.in,
211 +        MemberStamp.cpp, MemberStamp.hpp, MoleculeStamp.cpp,
212 +        MoleculeStamp.hpp, RigidBodyStamp.cpp, RigidBodyStamp.hpp,
213 +        interface.c, make_nodes.c, make_nodes.h, mpiBASS.c, mpiBASS.h,
214 +        node_list.h, parse_interface.h, parse_tree.c: More BASS changes to
215 +        do new rigidBody scheme
216 +
217 + 2004-01-27 14:15  tim
218 +
219 +        * libmdtools/: AbstractClasses.hpp, ConjugateMinimizer.hpp,
220 +        Constraint.cpp, Constraint.hpp, Functor.hpp, Integrator.hpp,
221 +        MinimizerBase.hpp, NLOPConstraint.hpp, NLOPModel.hpp: revision of
222 +        constraint for Nonlinear Optimization Model
223 +
224 + 2004-01-26 17:01  gezelter
225 +
226 +        * utils/sysbuilder/MoLocator.cpp: Changes to BASS reader to use
227 +        Euler angles for orientation instead of unit vectors required
228 +        changes in MoLocator
229 +
230 + 2004-01-26 16:53  gezelter
231 +
232 +        * samples/: alkane/alkanes.mdl, beadLipid/beadLipid.mdl,
233 +        beadLipid/water.mdl, lipid/lipid.mdl, lipid/water.mdl,
234 +        water/water.mdl: Changed orientation lines from unit vectors to
235 +        euler angles
236 +
237 + 2004-01-26 16:52  gezelter
238 +
239 +        * libmdtools/SimSetup.cpp: Convert Eulers in degrees into radians
240 +
241 + 2004-01-26 16:45  gezelter
242 +
243 +        * libmdtools/SimSetup.cpp: Changed default orientation in BASS to
244 +        use Euler angles in the following order: phi, theta, psi Removed
245 +        the ability to set orientation using a unit vector
246 +
247 + 2004-01-26 16:26  gezelter
248 +
249 +        * libBASS/: AtomStamp.cpp, AtomStamp.hpp, RigidBodyStamp.cpp,
250 +        RigidBodyStamp.hpp: Changed default orientation in BASS to use
251 +        Euler angles in the following order: phi, theta, psi Removed the
252 +        ability to set orientation using a unit vector
253 +
254 + 2004-01-26 13:52  gezelter
255 +
256 +        * libBASS/: BASS_interface.cpp, MakeStamps.cpp, MakeStamps.hpp,
257 +        MoleculeStamp.cpp: Fix broken atom assignment for rigid bodies
258 +
259 + 2004-01-22 12:34  chrisfen
260 +
261 +        * libmdtools/: DUFF.cpp, EAM_FF.cpp, ForceFields.hpp, LJFF.cpp,
262 +        TraPPE_ExFF.cpp, WATER.cpp, mpiForceField.c, mpiForceField.h:
263 +        Corrected spelling in several directories, and stated WATER.cpp
264 +
265 + 2004-01-21 17:16  tim
266 +
267 +        * libmdtools/: MinimizerBase.hpp, NLOPConstraint.hpp,
268 +        NLOPModel.hpp: constraint class in energy minimization
269 +
270 + 2004-01-20 15:34  tim
271 +
272 +        * libmdtools/MinimizerBase.hpp: Adding energy minimization
273 +
274 + 2004-01-20 15:32  tim
275 +
276 +        * libmdtools/: ConjugateMinimizer.hpp, Integrator.hpp,
277 +        NLOPConstraint.hpp, NLOPModel.hpp: Energy Minimizer
278 +
279 + 2004-01-19 16:17  gezelter
280 +
281 +        * libmdtools/: SimInfo.cpp, SimSetup.cpp: Made some error messages
282 +        more user-friendly
283 +
284 + 2004-01-19 13:51  chrisfen
285 +
286 +        * forceFields/DUFF.frc: Updated the default water to SSD/E
287 +
288 + 2004-01-19 13:36  tim
289 +
290 +        * libmdtools/: Functor.hpp, SimSetup.cpp: Adding warning if sample
291 +        time, status time, thermal time and reset time are not divisible by
292 +        dt
293 +
294 + 2004-01-19 11:10  gezelter
295 +
296 +        * third-party/Makefile.in: Added a bunch of dummy targets so make
297 +        won't complain
298 +
299 + 2004-01-19 11:10  gezelter
300 +
301 +        * samples/lipid/5x5.bass: Fixed old bass file
302 +
303 + 2004-01-19 11:09  gezelter
304 +
305 +        * libmdtools/mpiSimulation.cpp: BASS changes to add RigidBodies
306 +        required a change in how the MoleculeStamps are used by divideLabor
307 +        in mpiSimulation.cpp
308 +
309 + 2004-01-19 11:08  gezelter
310 +
311 +        * libBASS/: BASS_interface.cpp, BASS_interface.h, BASS_parse.c,
312 +        BASSyacc.y, Globals.cpp, Globals.hpp, MakeStamps.cpp,
313 +        MakeStamps.hpp, Makefile.in, MoleculeStamp.cpp, MoleculeStamp.hpp,
314 +        RigidBodyStamp.cpp, RigidBodyStamp.hpp, interface.c, make_nodes.c,
315 +        make_nodes.h, mpiBASS.c, mpiBASS.h, node_list.h, parse_interface.h,
316 +        parse_tree.c: BASS changes to add RigidBodies and LJrcut
317 +
318 + 2004-01-16 16:55  tim
319 +
320 +        * libmdtools/: DumpWriter.cpp, EAM_FF.cpp: fix a bug in creating
321 +        eor file
322 +
323 + 2004-01-16 16:51  mmeineke
324 +
325 +        * libmdtools/DumpWriter.cpp: fixed a bug where only MPI jobs could
326 +        write eor files
327 +
328 + 2004-01-16 10:01  mmeineke
329 +
330 +        * libmdtools/DUFF.cpp: fixed an struct mismatch error in the mpi
331 +        initialization of the AtomStruct
332 +
333 + 2004-01-15 16:57  chuckv
334 +
335 +        * configure, libmdtools/DumpWriter.cpp: Fixes for Dumps
336 +
337 + 2004-01-15 10:51  gezelter
338 +
339 +        * ac-tools/aclocal.m4: Changes for altivec
340 +
341 + 2004-01-15 09:22  gezelter
342 +
343 +        * libmdtools/DumpWriter.cpp: Documented the Spud Toss
344 +
345 + 2004-01-14 23:33  gezelter
346 +
347 +        * libmdtools/do_Forces.F90: changes for charge charge interactions
348 +
349 + 2004-01-14 20:14  gezelter
350 +
351 +        * libmdtools/: calc_charge_charge.F90, calc_dipole_dipole.F90,
352 +        notifyCutoffs.F90: More work for adding charges
353 +
354 + 2004-01-14 17:41  gezelter
355 +
356 +        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
357 +        src/Makefile.in: autoconf fixes
358 +
359 + 2004-01-14 11:28  mmeineke
360 +
361 +        * utils/sysbuilder/latticeBilayer.cpp: fixed a periodic box bug
362 +
363 + 2004-01-14 10:48  gezelter
364 +
365 +        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
366 +        src/Makefile.in, third-party/Makefile.in: autoconf compatibility
367 +        changes for icc8
368 +
369 + 2004-01-13 18:01  gezelter
370 +
371 +        * libmdtools/: DUFF.cpp, EAM_FF.cpp, LJFF.cpp, SimInfo.cpp,
372 +        SimInfo.hpp, TraPPE_ExFF.cpp, atype_module.F90, do_Forces.F90,
373 +        fSimulation.h, fortranWrapDefines.hpp, simulation_module.F90:
374 +        Changes for adding direct charge-charge interactions (with
375 +        switching function)
376 +
377 + 2004-01-13 17:34  gezelter
378 +
379 +        * libmdtools/: Make.dep, Makefile.in, calc_charge_charge.F90,
380 +        oopseMPI_module.F90: Some changes for new MPI organization and
381 +        direct charge-charge interactions
382 +
383 + 2004-01-13 17:11  tim
384 +
385 +        * Functor.hpp, libmdtools/Functor.hpp: [no log message]
386 +
387 + 2004-01-13 16:22  tim
388 +
389 +        * Functor.hpp, samples/water/ssd.bass: Energy Minimization method
390 +
391 + 2004-01-13 15:35  tim
392 +
393 +        * libmdtools/: DumpWriter.cpp, ReadWrite.hpp: open and close the
394 +        eor file whenever it is used instead of rewinding it
395 +
396 + 2004-01-13 15:04  tim
397 +
398 +        * libmdtools/: DumpWriter.cpp, ReadWrite.hpp: change the interface
399 +        of writeFrame
400 +
401 + 2004-01-13 10:46  tim
402 +
403 +        * libmdtools/: DumpWriter.cpp, Integrator.cpp, ReadWrite.hpp:
404 +        Merge the code of writeFinal and writeDump;
405 +         Adding sortingIndex into DumpWriter;
406 +         Fix a bug of writing last frame twice in integrator
407 +
408 + 2004-01-12 17:54  tim
409 +
410 +        * ChangeLog, libmdtools/DumpWriter.cpp, samples/water/ssd.bass: fix
411 +        a bug in copying string
412 +
413 + 2004-01-12 15:37  tim
414 +
415 +        * ChangeLog, libmdtools/DumpWriter.cpp, samples/argon/argon.bass,
416 +        samples/water/ssd.bass: Dumpwriter only write out the atoms on
417 +        master nodes
418 +
419 + 2004-01-10 04:46  tim
420 +
421 +        * ChangeLog, libmdtools/DumpWriter.cpp: tagub is not a bug. Just
422 +        roll it back fix a bug of copying string to a pointer Still have
423 +        Seg fault, it looks like a random MPI seg fault in totalview
424 +
425 + 2004-01-09 21:15  tim
426 +
427 +        * libmdtools/DumpWriter.cpp: Fix a bug of declaration of tagub
428 +
429 + 2004-01-09 15:29  gezelter
430 +
431 +        * libmdtools/DumpWriter.cpp: New DumpWriter (Attempt #4)
432 +
433 + 2004-01-08 17:25  chuckv
434 +
435 +        * libmdtools/DumpWriter.cpp: A work in progress...
436 +
437 + 2004-01-08 13:59  gezelter
438 +
439 +        * libmdtools/DumpWriter.cpp: null terminate some strings just in
440 +        case
441 +
442 + 2004-01-08 13:13  mmeineke
443 +
444 +        * libmdtools/InitializeFromFile.cpp: refixed the NVT readin XS
445 +        state bug.
446 +
447 + 2004-01-08 13:05  gezelter
448 +
449 +        * libmdtools/DumpWriter.cpp: added strncpy to DumpWriter
450 +
451 + 2004-01-08 12:57  mmeineke
452 +
453 +        * libmdtools/InitializeFromFile.cpp: fixed the restart from NVT
454 +        exstended state bug
455 +
456 + 2004-01-08 12:40  gezelter
457 +
458 +        * libmdtools/DumpWriter.cpp: First Stab at fixing DumpWriter
459 +
460 + 2004-01-08 10:44  mmeineke
461 +
462 +        * libmdtools/InitializeFromFile.cpp: added support for the ignore
463 +        XS state info  flag
464 +
465 + 2004-01-07 14:26  tim
466 +
467 +        * libmdtools/DumpWriter.cpp, libmdtools/InitializeFromFile.cpp,
468 +        samples/argon/argon.bass, samples/water/ssd.bass: Fixed a bug of
469 +        sending message from master node to itself in DumpWriter.cpp and
470 +        InitializeFromFile.cpp
471 +
472 + 2004-01-06 14:49  chuckv
473 +
474 +        * libmdtools/: calc_dipole_dipole.F90, calc_reaction_field.F90:
475 +        performance fixes in the dipole dipole and reaction field code
476 +
477 + 2004-01-06 13:54  chuckv
478 +
479 +        * libmdtools/: calc_LJ_FF.F90, do_Forces.F90: Making do_Forces a
480 +        little more sane
481 +
482 + 2004-01-05 17:49  chuckv
483 +
484 +        * libmdtools/: calc_LJ_FF.F90, calc_dipole_dipole.F90,
485 +        calc_eam.F90, calc_gb.F90, calc_reaction_field.F90,
486 +        calc_sticky_pair.F90, do_Forces.F90: Attempting to increase
487 +        performance by reducing spurious function calls
488 +
489 + 2004-01-05 17:18  chuckv
490 +
491 +        * libmdtools/do_Forces.F90: mangling forces even further
492 +
493 + 2004-01-05 17:18  chuckv
494 +
495 +        * configure, ac-tools/configure.in: mpich mucking
496 +
497 + 2004-01-05 17:12  chuckv
498 +
499 +        * libmdtools/do_Forces.F90: mangled do_forces...
500 +
501 + 2004-01-05 16:00  chuckv
502 +
503 +        * ChangeLog, ac-tools/configure.in, libmdtools/atype_module.F90,
504 +        libmdtools/do_Forces.F90: Added bitmask to do_forces property
505 +        lookup
506 +
507   2003-12-29 14:56  chuckv
508  
509          * samples/metals/Au.bass, third-party/mt19937ar.c: Added
# Line 2178 | Line 2684
2684  
2685   2003-03-25 09:29  mmeineke
2686  
2687 <        * libBASS/obj/dummy, libmdtools/MPIobj/dummy, libmdtools/obj/dummy,
2687 >        * libBASS/obj/dummy, libmdtools/obj/dummy, libmdtools/MPIobj/dummy,
2688          src/MPIobj/dummy, src/obj/dummy: [no log message]
2689  
2690   2003-03-25 09:29  mmeineke
# Line 2332 | Line 2838
2838          libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90,
2839          libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp,
2840          libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90,
2841 <        libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE
2842 <        Tree
2841 >        libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial
2842 >        revision
2843  
2844   2003-03-21 12:42  mmeineke
2845  
# Line 2390 | Line 2896
2896          libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90,
2897          libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp,
2898          libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90,
2899 <        libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial
2900 <        revision
2899 >        libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE
2900 >        Tree
2901  

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