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Comparing trunk/OOPSE/ChangeLog (file contents):
Revision 1005 by tim, Tue Feb 3 15:21:32 2004 UTC vs.
Revision 1157 by tim, Tue May 11 20:33:41 2004 UTC

# Line 1 | Line 1
1 + 2004-05-11 11:00  gezelter
2 +
3 +        * libmdtools/: Make.dep, SimInfo.cpp, SimInfo.hpp, SimSetup.cpp,
4 +        fortranWrapDefines.hpp, notifyCutoffs.F90: Fixes to libmdtools to
5 +        use the simplified cutoff stuff in the BASS library
6 +
7 + 2004-05-10 23:21  gezelter
8 +
9 +        * libBASS/: BASS_interface.cpp, BASS_interface.h, BASSyacc.y,
10 +        CutoffGroupStamp.cpp, CutoffGroupStamp.hpp, Globals.cpp,
11 +        Globals.hpp, MakeStamps.cpp, MakeStamps.hpp, Makefile.in,
12 +        MoleculeStamp.cpp, MoleculeStamp.hpp, interface.c, make_nodes.c,
13 +        make_nodes.h, mpiBASS.c, mpiBASS.h, node_list.h, parse_interface.h,
14 +        parse_tree.c: BASS changes for adding CutoffGroups to molecules.
15 +        Also restructured the plethora of cutoff radii into one
16 +        cutoffRadius and one switchingRadius.  Also removed the
17 +        useMolecularCutoffs keyword
18 +
19 + 2004-05-10 15:28  tim
20 +
21 +        * ChangeLog, libmdtools/DumpWriter.cpp, src/Makefile.in: optimize
22 +        DumpWriter
23 +
24 + 2004-05-07 16:36  gezelter
25 +
26 +        * libmdtools/: fSwitchingFunction.h, switch_module.F90: New module
27 +        for fortran group-based switching function
28 +
29 + 2004-05-07 16:35  gezelter
30 +
31 +        * libmdtools/: Atom.hpp, ForceFields.cpp, Integrator.cpp,
32 +        Makefile.in, SimInfo.cpp, SimState.cpp, SimState.hpp,
33 +        calc_LJ_FF.F90, calc_charge_charge.F90, calc_dipole_dipole.F90,
34 +        calc_eam.F90, calc_gb.F90, calc_sticky_pair.F90, do_Forces.F90,
35 +        force_globals.F90, fortranWrapDefines.hpp, mpiComponentPlan.h,
36 +        mpiSimulation_module.F90, neighborLists.F90, notifyCutoffs.F90,
37 +        simulation_module.F90: Many changes to get group-based cutoffs to
38 +        work
39 +
40 + 2004-05-01 13:52  tim
41 +
42 +        * ChangeLog, libmdtools/ForceFields.cpp, libmdtools/Integrator.cpp,
43 +        libmdtools/OOPSEMinimizer.cpp, libmdtools/SimInfo.cpp,
44 +        libmdtools/SimInfo.hpp, libmdtools/calc_charge_charge.F90,
45 +        libmdtools/do_Forces.F90, libmdtools/fSimulation.h,
46 +        libmdtools/fortranWrapDefines.hpp,
47 +        libmdtools/simulation_module.F90: C++ pass groupList to fortran
48 +
49 + 2004-04-29 11:03  tim
50 +
51 +        * ChangeLog, libmdtools/calc_charge_charge.F90: fixed two bugs in
52 +        calc_charge_charge when using molecular cutoff
53 +
54 + 2004-04-28 21:11  tim
55 +
56 +        * libmdtools/: ForceFields.cpp, fortranWrapDefines.hpp: fix an
57 +        unmatched c/fortran interface
58 +
59 + 2004-04-28 18:09  tim
60 +
61 +        * ChangeLog, libmdtools/Integrator.hpp, libmdtools/ZConstraint.cpp:
62 +        keep the previous position of cantilever in SMD
63 +
64 + 2004-04-28 17:34  tim
65 +
66 +        * ChangeLog, libmdtools/Molecule.cpp, libmdtools/Molecule.hpp,
67 +        libmdtools/OtherVisitor.cpp, libmdtools/ZconsVisitor.cpp: fix a bug
68 +        in Molecule.cpp which initialize massRatio before creat the array.
69 +        fix two bugs in ZconsVisitor
70 +
71 + 2004-04-28 17:06  gezelter
72 +
73 +        * libmdtools/: MatVec3.h, SimInfo.cpp, SimInfo.hpp, SimSetup.cpp:
74 +        Adding molecular cutoffs
75 +
76 + 2004-04-28 16:39  gezelter
77 +
78 +        * libmdtools/: calc_charge_charge.F90, do_Forces.F90,
79 +        fSimulation.h, force_globals.F90, simulation_module.F90: work on
80 +        molecular cutoffs
81 +
82 + 2004-04-28 16:39  gezelter
83 +
84 +        * libBASS/: Globals.cpp, Globals.hpp: useMolecularCutoffs added to
85 +        Globals
86 +
87 + 2004-04-27 11:26  tim
88 +
89 +        * libmdtools/: Atom.cpp, Atom.hpp, DirectionalAtom.cpp,
90 +        ForceFields.cpp, Molecule.cpp, SimState.cpp, SimState.hpp,
91 +        fSimulation.h, fortranWrapDefines.hpp: add center of mass of the
92 +        molecule and massRation into atom class
93 +
94 + 2004-04-26 16:16  mmeineke
95 +
96 +        * libBASS/Globals.cpp: modified the defaults for the system init
97 +        time and system init state.
98 +
99 + 2004-04-26 09:29  gezelter
100 +
101 +        * libmdtools/: Thermo.cpp, calc_charge_charge.F90: Fixed a bug in
102 +        calc_charge_charge.F90
103 +
104 + 2004-04-23 23:31  tim
105 +
106 +        * ChangeLog, libmdtools/AtomVisitor.cpp,
107 +        libmdtools/calc_charge_charge.F90, libmdtools/do_Forces.F90: add
108 +        reaction field correction to charge-charge interaction
109 +
110 + 2004-04-22 16:33  tim
111 +
112 +        * libmdtools/: InitializeFromFile.cpp, SimInfo.cpp, SimInfo.hpp,
113 +        Thermo.cpp, calc_charge_charge.F90, do_Forces.F90: change the
114 +        calculation of pressure tensor
115 +
116 + 2004-04-22 09:55  tim
117 +
118 +        * libmdtools/: DumpReader.cpp, InitializeFromFile.cpp: fixed
119 +        another bug in InitFromFile. MPI verion of OOPSE is working again
120 +
121 + 2004-04-21 22:29  tim
122 +
123 +        * libmdtools/: AtomVisitor.cpp, DumpReader.cpp, DumpWriter.cpp,
124 +        InitializeFromFile.cpp, NPT.cpp, NVT.cpp, OtherVisitor.cpp,
125 +        SimSetup.cpp, calc_charge_charge.F90, mpiSimulation.cpp: fixed two
126 +        bugs in MPI version of InitfromFile and one unmatch MPI command in
127 +        DumpWriter
128 +
129 + 2004-04-21 00:32  tim
130 +
131 +        * libmdtools/Functor.hpp, libmdtools/LinearCons.cpp,
132 +        libmdtools/LinearCons.hpp, utils/CmdlineZsub.c,
133 +        utils/CmdlineZsub.h, utils/zsub.cpp, utils/zsub.ggo: remove some
134 +        useless files
135 +
136 + 2004-04-20 11:56  tim
137 +
138 +        * libmdtools/: Integrator.cpp, NVT.cpp, OtherVisitor.cpp,
139 +        SimInfo.cpp, Thermo.cpp, Thermo.hpp: fixed getCOMVel  and
140 +        velocitize at thermo
141 +
142 + 2004-04-20 00:39  tim
143 +
144 +        * ChangeLog, libmdtools/Atom.cpp, libmdtools/Atom.hpp,
145 +        libmdtools/AtomVisitor.cpp, libmdtools/AtomVisitor.hpp,
146 +        libmdtools/CompositeVisitor.cpp, libmdtools/CompositeVisitor.hpp,
147 +        libmdtools/DirectionalAtom.hpp, libmdtools/GenericData.hpp,
148 +        libmdtools/OtherVisitor.cpp, libmdtools/OtherVisitor.hpp,
149 +        libmdtools/RigidBodyVisitor.cpp, libmdtools/RigidBodyVisitor.hpp,
150 +        utils/Dump2XYZ.cpp, utils/Dump2XYZ.ggo, utils/Dump2XYZCmd.c,
151 +        utils/Dump2XYZCmd.h: DUMP2XYZ 0.99 version
152 +
153 + 2004-04-19 17:13  gezelter
154 +
155 +        * libmdtools/: Atom.cpp, Integrator.cpp, NVT.cpp, SimInfo.cpp,
156 +        Thermo.cpp: Fixed a charge bug
157 +
158 + 2004-04-19 15:54  tim
159 +
160 +        * libmdtools/CompositeVisitor.cpp, libmdtools/CompositeVisitor.hpp,
161 +        libmdtools/OtherVisitor.cpp, libmdtools/OtherVisitor.hpp,
162 +        libmdtools/RigidBody.cpp, utils/Make.dep, utils/Makefile.in: fixed
163 +        a bug in CompositeVisitor which cause the double counting problem
164 +
165 + 2004-04-19 12:44  tim
166 +
167 +        * libmdtools/AtomVisitor.cpp, libmdtools/AtomVisitor.hpp,
168 +        libmdtools/BaseVisitor.hpp, libmdtools/CompositeVisitor.cpp,
169 +        libmdtools/DumpReader.cpp, libmdtools/Make.dep,
170 +        libmdtools/OtherVisitor.cpp, libmdtools/RigidBodyVisitor.cpp,
171 +        libmdtools/ZconsVisitor.cpp, utils/Dump2XYZ.cpp, utils/Makefile.in:
172 +        Dump2XYZ is almost working except atoms in rigidbody are double
173 +        counted
174 +
175 + 2004-04-18 22:52  tim
176 +
177 +        * ChangeLog, libmdtools/Atom.cpp, libmdtools/Atom.hpp,
178 +        libmdtools/AtomVisitor.cpp, libmdtools/AtomVisitor.hpp,
179 +        libmdtools/BaseVisitor.hpp, libmdtools/CompositeVisitor.cpp,
180 +        libmdtools/CompositeVisitor.hpp, libmdtools/DumpReader.cpp,
181 +        libmdtools/GenericData.cpp, libmdtools/GenericData.hpp,
182 +        libmdtools/Integrator.cpp, libmdtools/Makefile.in,
183 +        libmdtools/MatVec3.h, libmdtools/OtherVisitor.cpp,
184 +        libmdtools/OtherVisitor.hpp, libmdtools/ReadWrite.hpp,
185 +        libmdtools/RigidBody.cpp, libmdtools/RigidBody.hpp,
186 +        libmdtools/RigidBodyVisitor.cpp, libmdtools/RigidBodyVisitor.hpp,
187 +        libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp,
188 +        libmdtools/StuntDouble.cpp, libmdtools/StuntDouble.hpp,
189 +        libmdtools/Thermo.cpp, libmdtools/ZConsReader.cpp,
190 +        libmdtools/ZConsReader.hpp, libmdtools/ZconsVisitor.cpp,
191 +        libmdtools/ZconsVisitor.hpp, utils/Dump2XYZ.cpp,
192 +        utils/Dump2XYZ.ggo, utils/Dump2XYZCmd.c, utils/Dump2XYZCmd.h: new
193 +        implement of quickLate using visitor and composite pattern
194 +
195 + 2004-04-15 17:15  tim
196 +
197 +        * libmdtools/SimSetup.cpp, utils/zsub.cpp: fix a bug in setting
198 +        exclude list
199 +
200 + 2004-04-15 11:18  tim
201 +
202 +        * ChangeLog, forceFields/DUFF.frc, libBASS/MoleculeStamp.cpp,
203 +        libmdtools/Atom.hpp, libmdtools/InitializeFromFile.cpp,
204 +        libmdtools/Integrator.cpp, libmdtools/Molecule.cpp,
205 +        libmdtools/RigidBody.cpp, libmdtools/RigidBody.hpp,
206 +        libmdtools/SimInfo.cpp, libmdtools/SimSetup.cpp,
207 +        libmdtools/Thermo.cpp, libmdtools/WATER.cpp,
208 +        libmdtools/calc_charge_charge.F90, libmdtools/do_Forces.F90: fix
209 +        whole bunch of bugs :-)
210 +
211 + 2004-04-14 12:20  chrisfen
212 +
213 +        * forceFields/WATER.frc: Added the WATER.frc force field
214 +
215 + 2004-04-14 11:32  gezelter
216 +
217 +        * libmdtools/Molecule.cpp: fixed for get_potential
218 +
219 + 2004-04-14 10:37  tim
220 +
221 +        * AUTHORS, ChangeLog, libmdtools/DumpWriter.cpp,
222 +        libmdtools/InitializeFromFile.cpp, libmdtools/Integrator.cpp,
223 +        libmdtools/Integrator.hpp, libmdtools/Make.dep,
224 +        libmdtools/Molecule.hpp, libmdtools/OOPSEMinimizer.cpp,
225 +        libmdtools/ReadWrite.hpp, libmdtools/RigidBody.hpp,
226 +        libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp,
227 +        libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp,
228 +        libmdtools/StuntDouble.cpp, libmdtools/StuntDouble.hpp,
229 +        libmdtools/ZConsReader.cpp, libmdtools/mpiSimulation.cpp,
230 +        libmdtools/mpiSimulation.hpp, utils/quickLate.c, utils/zsub.cpp:
231 +        Change DumpWriter and InitFromFile
232 +
233 + 2004-04-13 11:26  gezelter
234 +
235 +        * libmdtools/: Molecule.cpp, Molecule.hpp, SimSetup.cpp: Now
236 +        molecules can keep track of their own IntegrableObjects (and
237 +        RigidBodies).  Also a bug-fix so that SimInfo can keep track of
238 +        RigidBodies (which was done incorrectly before).
239 +
240 + 2004-04-13 11:25  gezelter
241 +
242 +        * libBASS/: MoleculeStamp.cpp, MoleculeStamp.hpp: Added Integrable
243 +        (will back out momentarily)
244 +
245 + 2004-04-13 10:10  gezelter
246 +
247 +        * libmdtools/: IntegrableObjects.cpp, IntegrableObjects.hpp: Oops.
248 +        Those were old.
249 +
250 + 2004-04-13 10:09  gezelter
251 +
252 +        * libmdtools/: IntegrableObjects.cpp, IntegrableObjects.hpp: Forgot
253 +        to add IntegrableObjects
254 +
255 + 2004-04-12 16:02  gezelter
256 +
257 +        * libmdtools/: RigidBody.cpp, RigidBody.hpp: Adding RigidBody code
258 +
259 + 2004-04-12 15:32  gezelter
260 +
261 +        * samples/: alkane/butane.bass, water/ssd.bass: Slightly longer
262 +        test run
263 +
264 + 2004-04-12 15:32  gezelter
265 +
266 +        * libmdtools/: Atom.cpp, Atom.hpp, DUFF.cpp, DipoleTestFF.cpp,
267 +        DirectionalAtom.cpp, DirectionalAtom.hpp, DumpReader.cpp,
268 +        DumpWriter.cpp, EAM_FF.cpp, Exclude.cpp, Exclude.hpp,
269 +        ForceFields.cpp, ForceFields.hpp, InitializeFromFile.cpp,
270 +        Integrator.cpp, Integrator.hpp, LJFF.cpp, Make.dep, Makefile.in,
271 +        MatVec3.c, MatVec3.h, Molecule.cpp, Molecule.hpp, NPT.cpp,
272 +        NPTf.cpp, NPTxyz.cpp, NVT.cpp, OOPSEMinimizer.cpp, SRI.hpp,
273 +        SimInfo.cpp, SimInfo.hpp, SimSetup.cpp, SimSetup.hpp, SkipList.cpp,
274 +        SkipList.hpp, StuntDouble.cpp, StuntDouble.hpp, TraPPE_ExFF.cpp,
275 +        WATER.cpp, ZConsReader.cpp: Changes for RigidBody dynamics
276 +        (Somewhat extensive)
277 +
278 + 2004-04-12 15:31  gezelter
279 +
280 +        * libBASS/BASSyacc.y, libBASS/Globals.cpp, libBASS/MakeStamps.cpp,
281 +        libBASS/RigidBodyStamp.cpp, libBASS/RigidBodyStamp.hpp,
282 +        utils/sysbuilder/MoLocator.cpp, utils/sysbuilder/MoLocator.hpp:
283 +        Changes for RigidBody dynamics
284 +
285 + 2004-03-17 09:22  tim
286 +
287 +        * libBASS/Globals.cpp, libBASS/Globals.hpp, libBASS/ZconStamp.cpp,
288 +        libBASS/ZconStamp.hpp, libmdtools/GenericData.hpp,
289 +        libmdtools/Integrator.hpp, libmdtools/SimSetup.cpp,
290 +        libmdtools/ZConstraint.cpp: incorporate SMD into ZConstraint,it
291 +        does not sound a good choice, next commit will seperate SMD and
292 +        ZConstraint
293 +
294 + 2004-03-16 14:22  tim
295 +
296 +        * ChangeLog, libBASS/Globals.cpp, libBASS/Globals.hpp,
297 +        libmdtools/GenericData.hpp, libmdtools/Integrator.hpp,
298 +        libmdtools/SimSetup.cpp, libmdtools/ZConsWriter.cpp,
299 +        libmdtools/ZConsWriter.hpp, libmdtools/ZConstraint.cpp: ZConstraint
300 +        now can support sequential moving. Refactorying is needed to
301 +        support SMD in ZConstraint
302 +
303 + 2004-03-02 15:32  tim
304 +
305 +        * libmdtools/: DumpReader.cpp, DumpWriter.cpp, ReadWrite.hpp,
306 +        StatWriter.cpp, ZConsWriter.hpp: add LARGEFILE_SOURCE64 macro to
307 +        support large file
308 +
309 + 2004-03-01 16:17  tim
310 +
311 +        * utils/zsub.cpp: Fix a couple of bugs in zsub
312 +
313 + 2004-03-01 15:01  tim
314 +
315 +        * ChangeLog, libmdtools/DumpReader.cpp, libmdtools/Makefile.in,
316 +        libmdtools/OOPSEMinimizer.cpp, libmdtools/ReadWrite.hpp,
317 +        libmdtools/ZConsReader.cpp, libmdtools/ZConsReader.hpp,
318 +        utils/CmdlineZsub.c, utils/CmdlineZsub.h, utils/Makefile.in,
319 +        utils/quickLate.c, utils/zsub.cpp, utils/zsub.ggo: Adding zsub, a
320 +        program which can be used to replace atom type for zconstraint into
321 +        OOPSE
322 +
323 + 2004-02-24 11:36  tim
324 +
325 +        * ChangeLog, libBASS/Globals.cpp, libBASS/Globals.hpp,
326 +        libmdtools/PRCG.cpp, libmdtools/SimSetup.cpp, src/oose.cpp: [no log
327 +        message]
328 +
329 + 2004-02-24 10:49  tim
330 +
331 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
332 +        Constraint.cpp, Constraint.hpp, ConstraintList.cpp,
333 +        ConstraintList.hpp, Minimizer.hpp, Minimizer1D.cpp,
334 +        Minimizer1D.hpp, MinimizerBase.hpp, NLModel.hpp, NLModel0.cpp,
335 +        NLModel1.cpp, NonlinearCons.cpp, NonlinearCons.hpp,
336 +        OOPSEMinimizerBase.cpp, SteepestDescent.cpp, SteepestDescent.hpp,
337 +        SymMatrix.hpp: remove the old implement of minimizer from cvs tree
338 +
339 + 2004-02-24 10:44  tim
340 +
341 +        * libmdtools/: CGFamilyMinimizer.cpp, ConjugateMinimizer.cpp,
342 +        Integrator.hpp, Makefile.in, Minimizer1D.cpp,
343 +        MinimizerParameterSet.hpp, OOPSEMinimizer.cpp, OOPSEMinimizer.hpp,
344 +        OOPSEMinimizerBase.cpp, PRCG.cpp, SDMinimizer.cpp, SimInfo.hpp,
345 +        SimSetup.cpp, Utility.cpp, Utility.hpp: Using inherit instead of
346 +        compose to implement Minimizer both versions are working
347 +
348 + 2004-02-17 14:23  tim
349 +
350 +        * ChangeLog, libmdtools/ConjugateMinimizer.cpp,
351 +        libmdtools/Integrator.cpp, libmdtools/Integrator.hpp,
352 +        libmdtools/Minimizer1D.cpp, libmdtools/Minimizer1D.hpp,
353 +        libmdtools/MinimizerParameterSet.hpp,
354 +        libmdtools/OOPSEMinimizerBase.cpp: adding function shakeF in order
355 +        to remove the constraint force along bond direction
356 +
357 + 2004-02-10 16:33  tim
358 +
359 +        * ChangeLog, libmdtools/ConjugateMinimizer.cpp,
360 +        libmdtools/DirectionalAtom.cpp, libmdtools/OOPSEMinimizerBase.cpp:
361 +        single version of energy minimization is working.
362 +
363 + 2004-02-09 15:38  mmeineke
364 +
365 +        * staticProps/: AllCorr.cpp, staticProps.cpp:  started a bug fix on
366 +        the massive memory overusage by OOPSE
367 +
368 + 2004-02-09 09:48  chrisfen
369 +
370 +        * libmdtools/: SimSetup.cpp, calc_LJ_FF.F90: Stripped out the
371 +        hardwired LJ_rcut
372 +
373 + 2004-02-06 19:14  tim
374 +
375 +        * libmdtools/: SymMatrix.hpp, Utility.cpp, Utility.hpp: [no log
376 +        message]
377 +
378 + 2004-02-06 16:37  tim
379 +
380 +        * ChangeLog, libBASS/Globals.cpp,
381 +        libmdtools/ConjugateMinimizer.cpp, libmdtools/Integrator.cpp,
382 +        libmdtools/Integrator.hpp, libmdtools/OOPSEMinimizerBase.cpp,
383 +        libmdtools/SimSetup.cpp, samples/water/ssd.bass: Single version of
384 +        energy minimization for argon is working, need to add constraint
385 +
386 + 2004-02-06 14:05  tim
387 +
388 +        * libmdtools/: AllIntegrator.hpp, Makefile.in, SimSetup.cpp: Add
389 +        one more file into Makefile.in
390 +
391 + 2004-02-06 13:58  tim
392 +
393 +        * ChangeLog, libBASS/Globals.cpp, libBASS/Globals.hpp,
394 +        libmdtools/AllIntegrator.hpp, libmdtools/ConjugateMinimizer.cpp,
395 +        libmdtools/ConjugateMinimizer.hpp, libmdtools/Functor.hpp,
396 +        libmdtools/Integrator.hpp, libmdtools/Makefile.in,
397 +        libmdtools/Minimizer.hpp, libmdtools/Minimizer1D.cpp,
398 +        libmdtools/Minimizer1D.hpp, libmdtools/MinimizerBase.hpp,
399 +        libmdtools/MinimizerParameterSet.hpp, libmdtools/NLModel.hpp,
400 +        libmdtools/NLModel1.cpp, libmdtools/OOPSEMinimizerBase.cpp,
401 +        libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp,
402 +        libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp, src/oose.cpp: Add
403 +        some lines into global.cpp to make it work with energy minimization
404 +
405 + 2004-02-04 17:26  tim
406 +
407 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
408 +        Constraint.hpp, Functor.hpp, Minimizer.hpp, Minimizer1D.cpp,
409 +        Minimizer1D.hpp, MinimizerBase.hpp, MinimizerParameterSet.hpp,
410 +        NLModel.hpp, NLModel0.cpp, NLModel1.cpp: Fix a bunch of bugs   :-)
411 +        Single version of conjugate gradient with golden search linesearch
412 +        pass a couple of functions test. Brent's  algorithm is still broken
413 +
414 + 2004-02-03 17:54  tim
415 +
416 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
417 +        Minimizer1D.cpp, Minimizer1D.hpp, MinimizerParameterSet.hpp,
418 +        NLModel.hpp, NLModel0.cpp, NLModel1.cpp, SteepestDescent.cpp,
419 +        SteepestDescent.hpp: NLModel0, NLModel1 pass uit test
420 +
421 + 2004-02-03 15:47  tim
422 +
423 +        * libmdtools/: ConjugateMinimizer.cpp, ConstraintList.cpp,
424 +        ConstraintList.hpp, LinearCons.cpp, LinearCons.hpp, Minimizer.hpp,
425 +        NonlinearCons.cpp, NonlinearCons.hpp, OOPSEMinimizerBase.cpp,
426 +        SimpleBoundCons.cpp, SimpleBoundCons.hpp, SteepestDescent.cpp,
427 +        SteepestDescent.hpp: [no log message]
428 +
429 + 2004-02-03 15:43  tim
430 +
431 +        * libmdtools/: ConjugateMinimizer.hpp, Constraint.cpp,
432 +        Constraint.hpp, Integrator.hpp, Minimizer1D.cpp, Minimizer1D.hpp,
433 +        MinimizerBase.hpp, MinimizerParameterSet.hpp, NLModel.hpp,
434 +        NLModel0.cpp, NLModel1.cpp: to avoid cyclic depency, refactory
435 +        constraint class
436 +
437 + 2004-02-03 12:10  tim
438 +
439 +        * libmdtools/Functor.hpp: Functor.hpp pass unit test
440 +
441 + 2004-02-03 10:21  tim
442 +
443 +        * ChangeLog, libmdtools/Minimizer1D.cpp,
444 +        libmdtools/Minimizer1D.hpp: begin unit test of minimizer
445 +
446   2004-02-02 15:29  tim
447  
448          * libmdtools/: ConjugateMinimizer.hpp, Minimizer1D.cpp,
# Line 2561 | Line 3006
3006  
3007   2003-03-25 09:29  mmeineke
3008  
3009 <        * libBASS/obj/dummy, libmdtools/obj/dummy, src/MPIobj/dummy,
3010 <        src/obj/dummy: [no log message]
3009 >        * libBASS/obj/dummy, libmdtools/obj/dummy, libmdtools/MPIobj/dummy,
3010 >        src/MPIobj/dummy, src/obj/dummy: [no log message]
3011  
3012   2003-03-25 09:29  mmeineke
3013  
# Line 2715 | Line 3160
3160          libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90,
3161          libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp,
3162          libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90,
3163 <        libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial
3164 <        revision
3163 >        libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE
3164 >        Tree
3165  
3166   2003-03-21 12:42  mmeineke
3167  
# Line 2773 | Line 3218
3218          libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90,
3219          libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp,
3220          libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90,
3221 <        libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE
3222 <        Tree
3221 >        libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial
3222 >        revision
3223  

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