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Comparing trunk/OOPSE/ChangeLog (file contents):
Revision 660 by tim, Thu Jul 31 19:59:34 2003 UTC vs.
Revision 760 by gezelter, Fri Sep 12 16:20:05 2003 UTC

# Line 1 | Line 1
1 + 2003-09-10 16:28  mmeineke
2 +
3 +        * props/: GofR.cpp, PairCorrType.cpp, PairCorrType.hpp: added more
4 +        work on getting gofR working.
5 +
6 + 2003-09-09 16:50  mmeineke
7 +
8 +        * props/: GofR.cpp, PairCorrType.cpp, PairCorrType.hpp: added the
9 +        beginings of the GofR pair correlation.
10 +        
11 +        added identification of identI in matchI.
12 +
13 + 2003-09-09 15:35  mmeineke
14 +
15 +        * libmdtools/: Integrator.cpp, Integrator.hpp, NPTxym.cpp,
16 +        NPTzm.cpp, Thermo.cpp, Thermo.hpp: updated the ChangeLog
17 +        
18 +        added two new NPT integrators, they still need work.
19 +
20 + 2003-09-09 15:34  mmeineke
21 +
22 +        * ChangeLog: updated the ChangeLog
23 +
24 + 2003-09-05 17:45  gezelter
25 +
26 +        * libmdtools/Make.dep: dependency on config.h
27 +
28 + 2003-09-05 17:36  gezelter
29 +
30 +        * configure, ac-tools/aclocal.m4: fixed sprng problem
31 +
32 + 2003-09-05 16:29  gezelter
33 +
34 +        * samples/metals/Makefile.in: New Makefile for metals sample
35 +
36 + 2003-09-05 16:27  gezelter
37 +
38 +        * Makefile, Makefile.in, ac-tools/aclocal.m4,
39 +        ac-tools/configure.in, ac-tools/fortran90.m4, forceFields/Makefile,
40 +        forceFields/Makefile.in, libBASS/Globals.cpp, libBASS/Globals.hpp,
41 +        libBASS/MakeStamps.cpp, libBASS/MakeStamps.hpp, libBASS/Makefile,
42 +        libBASS/Makefile.in, libmdtools/Integrator.hpp,
43 +        libmdtools/Linux_ifc_machdep.F90, libmdtools/Make.dep,
44 +        libmdtools/Makefile, libmdtools/Makefile.in,
45 +        libmdtools/calc_eam.F90, libmdtools/config.h.in,
46 +        libmdtools/definitions_module.F90, libmdtools/fInfo.c,
47 +        libmdtools/fortranWrappers.cpp,
48 +        libmdtools/mpiSimulation_module.F90, libmdtools/neighborLists.F90,
49 +        libmdtools/simulation_module.F90, samples/Makefile,
50 +        samples/Makefile.in, samples/alkane/Makefile,
51 +        samples/alkane/Makefile.in, samples/argon/Makefile,
52 +        samples/argon/Makefile.in, samples/argon/argon.bass,
53 +        samples/beadLipid/Makefile, samples/beadLipid/Makefile.in,
54 +        samples/lipid/Makefile, samples/lipid/Makefile.in,
55 +        samples/water/Makefile, samples/water/Makefile.in, src/Makefile,
56 +        src/Makefile.in, utils/Makefile, utils/Makefile.in,
57 +        utils/sysbuilder/Makefile, utils/sysbuilder/Makefile.in: Changes to
58 +        autoconf / configure method of configuring OOPSE
59 +
60 + 2003-09-04 16:48  mmeineke
61 +
62 +        * libmdtools/Integrator.cpp, libmdtools/Integrator.hpp,
63 +        libmdtools/Makefile, libmdtools/NPTf.cpp, libmdtools/NPTfm.cpp,
64 +        libmdtools/NPTi.cpp, libmdtools/NPTim.cpp, libmdtools/NVT.cpp,
65 +        libmdtools/SimInfo.hpp, libmdtools/SimSetup.cpp, src/Makefile:
66 +        added resetTime to the Global namespace.
67 +        
68 +        added ability to reset the integrators in the NVT and NPT family.
69 +
70 + 2003-09-04 16:48  mmeineke
71 +
72 +        * libBASS/: Globals.cpp, Globals.hpp: added resetTime to the Global
73 +        namespace.
74 +
75 + 2003-09-02 09:30  tim
76 +
77 +        * libmdtools/: Integrator.hpp, Makefile, SimSetup.cpp,
78 +        ZConsWriter.cpp, ZConstraint.cpp: fix a bug at MPI version of
79 +        PolicyByMass
80 +
81 + 2003-08-28 16:09  tim
82 +
83 +        * ChangeLog, libmdtools/GenericData.cpp,
84 +        libmdtools/GenericData.hpp, libmdtools/SimSetup.cpp,
85 +        libmdtools/ZConstraint.cpp: Added: check uniqueness of molIndex
86 +
87 + 2003-08-28 11:59  mmeineke
88 +
89 +        * props/: PairCorrType.cpp, PairCorrType.hpp, staticProps.cpp:
90 +        added the first functional parts of the PairCorrType Abstract
91 +        classes.
92 +
93 + 2003-08-27 14:23  tim
94 +
95 +        * libmdtools/: Integrator.cpp, SimSetup.cpp, ZConstraint.cpp: fix
96 +        bug of MPI_Allreduce in ZConstraint, the MPITYPE is set to
97 +        MPI_DOUBLE, however, the corret type is MPI_INT. Therefore, when we
98 +        turn on the optimization flag, it causes a seg fault
99 +
100 + 2003-08-27 11:25  gezelter
101 +
102 +        * libmdtools/: calc_dipole_dipole.F90, calc_eam.F90, calc_gb.F90,
103 +        calc_reaction_field.F90, calc_sticky_pair.F90: More fixes for
104 +        stress tensor parallel bug.
105 +
106 + 2003-08-27 11:16  tim
107 +
108 +        * ChangeLog, libmdtools/DUFF.cpp,
109 +        libmdtools/calc_dipole_dipole.F90, libmdtools/calc_sticky_pair.F90:
110 +        fix bug in calc_dipole_dipole.F90 and calc_stikcy_pair.F90
111 +        molMembershipList use global index instead of local index
112 +
113 + 2003-08-26 15:37  tim
114 +
115 +        * libmdtools/: Integrator.cpp, ZConstraint.cpp, do_Forces.F90,
116 +        mpiSimulation.cpp: set default force substraction policy to
117 +        PolicyByMass
118 +
119 + 2003-08-26 15:29  tim
120 +
121 +        * libmdtools/Integrator.cpp: [no log message]
122 +
123 + 2003-08-26 15:13  mmeineke
124 +
125 +        * utils/sysbuilder/bilayerSys.cpp: added define statemewnt to
126 +        Statwriter and Dumpwriter to handle files larger than 2 gb.
127 +        
128 +        commented out some print statements in Zconstraint
129 +        
130 +        hard coding some system init into bilayer.sys
131 +
132 + 2003-08-26 15:12  mmeineke
133 +
134 +        * libmdtools/: DumpWriter.cpp, StatWriter.cpp, ZConstraint.cpp:
135 +        added define statemewnt to Statwriter and Dumpwriter to handle
136 +        files larger than 2 gb.
137 +        
138 +        commented out some print statements in Zconstraint
139 +
140 + 2003-08-26 15:02  tim
141 +
142 +        * libmdtools/SimSetup.cpp: Use make_sprng_seed() to generate seed
143 +        and check the seed which is specified by user at least contains 9
144 +        digits
145 +
146 + 2003-08-26 13:32  mmeineke
147 +
148 +        * libmdtools/DUFF.cpp: changed the Makefiel a litle.
149 +        
150 +        Fixed a bug in MPI_DUFF. The atom block type was not being properly
151 +        constucted in MPI. (The MPI struct had 6 doubles declared versus
152 +        the actual 11)
153 +
154 + 2003-08-26 13:30  mmeineke
155 +
156 +        * Makefile: changed the Makefiel a litle.
157 +
158 + 2003-08-25 17:17  gezelter
159 +
160 +        * utils/sysbuilder/Makefile: More FreeBSD fixes
161 +
162 + 2003-08-25 16:51  gezelter
163 +
164 +        * libBASS/BASSlex.l, libBASS/Makefile, libmdtools/Integrator.hpp,
165 +        libmdtools/Makefile, src/Makefile: [no log message]
166 +
167 + 2003-08-22 15:04  mmeineke
168 +
169 +        * libmdtools/: Integrator.cpp, ZConstraint.cpp: small bug fix on
170 +        frequency of output dumps.
171 +
172 + 2003-08-20 17:23  tim
173 +
174 +        * libBASS/Globals.hpp, libmdtools/SimInfo.hpp,
175 +        libmdtools/SimSetup.cpp, libmdtools/Thermo.cpp,
176 +        libmdtools/mpiSimulation.cpp: user can setup seed in bass file now,
177 +        if he does not specify any value for seed, oopse will take the
178 +        value of seconds of system time as seed
179 +
180 + 2003-08-20 14:42  mmeineke
181 +
182 +        * libmdtools/Atom.cpp, libmdtools/DUFF.cpp,
183 +        libmdtools/GhostBend.cpp, libmdtools/SRI.hpp,
184 +        libmdtools/SimSetup.cpp, libmdtools/SimState.cpp,
185 +        utils/sysbuilder/bilayerSys.cpp: updated the Changelog.
186 +        
187 +        added some bug fixes for setting the random number generator seed
188 +        value.
189 +        
190 +        fixed a bug where ghostbend atom b was not being set. ( recent bug
191 +        from SimState conversion)
192 +
193 + 2003-08-20 14:41  mmeineke
194 +
195 +        * libBASS/Globals.hpp: updated the Changelog.
196 +        
197 +        added some bug fixes for setting the random number generator seed
198 +        value.
199 +
200 + 2003-08-20 14:41  mmeineke
201 +
202 +        * ChangeLog: updated the Changelog.
203 +
204 + 2003-08-20 14:11  tim
205 +
206 +        * libBASS/Globals.cpp, libmdtools/DUFF.cpp,
207 +        libmdtools/GhostBend.cpp, libmdtools/SRI.hpp: bug fixed in ghost
208 +        bend class
209 +
210 + 2003-08-20 10:13  mmeineke
211 +
212 +        * utils/: Makefile, sysbuilder/Makefile: quick makefile fix, in
213 +        make links. added -f to ln -s.
214 +
215 + 2003-08-20 09:50  tim
216 +
217 +        * libmdtools/: ZConsWriter.cpp, ZConstraint.cpp: [no log message]
218 +
219 + 2003-08-20 09:34  tim
220 +
221 +        * libmdtools/: Integrator.hpp, SimSetup.cpp, ZConsWriter.cpp,
222 +        ZConstraint.cpp: reformmating ZConstraint and fixe bug of error msg
223 +        printing
224 +
225 + 2003-08-18 15:59  chuckv
226 +
227 +        * utils/sysbuilder/: MoLocator.cpp, MoLocator.hpp, bilayerSys.cpp,
228 +        latticeBuilder.cpp, latticeBuilder.hpp, nanoBuilder.cpp,
229 +        sysBuild.cpp, sysBuild.hpp: Fixed sysBuild -bilayer works.
230 +        Nanobuilder still broke.
231 +
232 + 2003-08-15 14:24  tim
233 +
234 +        * libBASS/Globals.cpp, libBASS/Globals.hpp,
235 +        libmdtools/GenericData.hpp, libmdtools/Integrator.hpp,
236 +        libmdtools/SimInfo.cpp, libmdtools/SimSetup.cpp,
237 +        libmdtools/ZConsWriter.cpp, libmdtools/ZConsWriter.hpp,
238 +        libmdtools/ZConstraint.cpp: Tested MPI version of Z-Constraint
239 +        Method
240 +
241 + 2003-08-14 11:16  tim
242 +
243 +        * libmdtools/: Integrator.hpp, ZConstraint.cpp: Stable ZConstraint
244 +        with average force substraction strategy
245 +
246 + 2003-08-13 16:20  chuckv
247 +
248 +        * libmdtools/: do_Forces.F90, mpiSimulation_module.F90: Added some
249 +        profiling code -DPROFILE.
250 +
251 + 2003-08-13 14:21  tim
252 +
253 +        * libBASS/Globals.cpp, libBASS/Globals.hpp,
254 +        libmdtools/Integrator.cpp, libmdtools/Integrator.hpp,
255 +        libmdtools/SimSetup.cpp, libmdtools/ZConstraint.cpp: harmonic
256 +        potential & z-contraint method
257 +
258 + 2003-08-12 16:44  mmeineke
259 +
260 +        * libBASS/BASS_interface.cpp, libBASS/Globals.hpp,
261 +        libmdtools/Atom.cpp, libmdtools/DUFF.cpp,
262 +        libmdtools/DirectionalAtom.cpp, libmdtools/InitializeFromFile.cpp,
263 +        libmdtools/SimInfo.cpp, libmdtools/SimSetup.cpp: fixed a really
264 +        annoying bug in Directional Atom, where mu was getting written to
265 +        pseudorandom memory location.
266 +
267 + 2003-08-12 14:56  tim
268 +
269 +        * libBASS/BASS_interface.cpp, libBASS/Globals.cpp,
270 +        libBASS/Globals.hpp, libmdtools/Atom.hpp,
271 +        libmdtools/DirectionalAtom.cpp, libmdtools/InitializeFromFile.cpp,
272 +        libmdtools/SimSetup.cpp: debugging globals
273 +
274 + 2003-08-12 13:40  gezelter
275 +
276 +        * forceFields/: DUFF.frc, EAM_FF.frc, LJFF.frc: formatting fixes
277 +        and new atypes in LJFF
278 +
279 + 2003-08-12 13:15  gezelter
280 +
281 +        * forceFields/: DUFF.frc, LJFF.frc: fixed a few references to older
282 +        stuff...
283 +
284 + 2003-08-12 13:14  chuckv
285 +
286 +        * utils/sysbuilder/sysBuild.ggo: Added comment line for getgetopt.
287 +
288 + 2003-08-12 13:04  chuckv
289 +
290 +        * utils/: nanoBuilder.cpp, nanoBuilder.hpp, nanoSysBuild.cpp:
291 +        Missed del of files before.
292 +
293 + 2003-08-12 13:03  chuckv
294 +
295 +        * utils/sysbuilder/: MPIobj/placeHolder, obj/placeHolder: [no log
296 +        message]
297 +
298 + 2003-08-12 13:01  chuckv
299 +
300 +        * utils/sysbuilder/Makefile: commit makefile
301 +
302 + 2003-08-12 12:51  tim
303 +
304 +        * libBASS/Globals.cpp, libBASS/Globals.hpp,
305 +        libmdtools/GenericData.cpp, libmdtools/GenericData.hpp,
306 +        libmdtools/Integrator.hpp, libmdtools/SimSetup.cpp,
307 +        libmdtools/SimSetup.hpp, libmdtools/ZConstraint.cpp: added
308 +        harmonical potential to z-constraint method
309 +
310 + 2003-08-11 17:31  chuckv
311 +
312 +        * utils/Makefile: Changed makefile to only build quicklate.
313 +
314 + 2003-08-11 17:25  chuckv
315 +
316 +        * ac-tools/configure.in: added utils/sysbuilder to be built.
317 +
318 + 2003-08-11 17:12  chuckv
319 +
320 +        * utils/: MoLocator.cpp, MoLocator.hpp, bilayerSys.cpp,
321 +        bilayerSys.hpp, latticeBuilder.cpp, latticeBuilder.hpp,
322 +        sysBuild.cpp, sysBuild.ggo, sysBuild.hpp, sysbuilder/MoLocator.cpp,
323 +        sysbuilder/MoLocator.hpp, sysbuilder/bilayerSys.cpp,
324 +        sysbuilder/bilayerSys.hpp, sysbuilder/cmdline.c,
325 +        sysbuilder/cmdline.h, sysbuilder/latticeBuilder.cpp,
326 +        sysbuilder/latticeBuilder.hpp, sysbuilder/nanoBuilder.cpp,
327 +        sysbuilder/nanoBuilder.hpp, sysbuilder/sysBuild.cpp,
328 +        sysbuilder/sysBuild.ggo, sysbuilder/sysBuild.hpp: Arranged
329 +        sysbuilder into a subdirectory. Fixed some of sysbuilder to work
330 +        with new atom allocation in libmdtools.
331 +
332 + 2003-08-11 14:41  tim
333 +
334 +        * libmdtools/: Integrator.cpp, Integrator.hpp: added method of
335 +        moving zconstraint molecules to specified positions
336 +
337 + 2003-08-11 14:39  tim
338 +
339 +        * libmdtools/: SimSetup.cpp, ZConstraint.cpp: [no log message]
340 +
341 + 2003-08-11 14:38  mmeineke
342 +
343 +        * libBASS/BASS_interface.cpp, libBASS/BASS_interface.h,
344 +        libBASS/BASS_parse.c, libBASS/BASSyacc.y, libBASS/Globals.cpp,
345 +        libBASS/Globals.hpp, libBASS/Makefile, libBASS/ZconStamp.cpp,
346 +        libBASS/ZconStamp.hpp, libBASS/interface.c, libBASS/make_nodes.c,
347 +        libBASS/make_nodes.h, libBASS/mpiBASS.c, libBASS/mpiBASS.h,
348 +        libBASS/node_list.h, libBASS/parse_interface.h,
349 +        libBASS/parse_tree.c, libmdtools/SimInfo.hpp: Added zConstraint
350 +        into the BASS language syntax.
351 +
352 + 2003-08-11 13:29  mmeineke
353 +
354 +        * libmdtools/: SimInfo.cpp, SimInfo.hpp: changed the number of
355 +        degrees of freedom to account for zConstreints
356 +
357 + 2003-08-08 16:22  chuckv
358 +
359 +        * libmdtools/EAM_FF.cpp, libmdtools/calc_eam.F90,
360 +        libmdtools/do_Forces.F90, libmdtools/neighborLists.F90,
361 +        samples/metals/Au.bass: EAM works...... Neighbor list also
362 +        works.....
363 +
364 + 2003-08-08 13:32  mmeineke
365 +
366 +        * props/: frameCount.c, frameCount.h, props.cpp, staticProps.cpp:
367 +        moved frameCount's functionality into DumpReader. also split props
368 +        into staticProps and dynamicProps. (currently only have
369 +        staticProps)
370 +
371 + 2003-08-08 12:48  mmeineke
372 +
373 +        * libmdtools/: Makefile, ZConstraint.cpp:  fixed a deprcated
374 +        instance of Atom::setZ and Atom::getZ in ZConstaint.
375 +
376 + 2003-08-07 16:47  mmeineke
377 +
378 +        * libmdtools/: Atom.cpp, Atom.hpp, Bend.cpp, Bond.cpp,
379 +        DirectionalAtom.cpp, DumpWriter.cpp, ForceFields.cpp,
380 +        GhostBend.cpp, InitializeFromFile.cpp, Makefile, SimInfo.cpp,
381 +        SimInfo.hpp, SimSetup.cpp, SimSetup.hpp, SimState.cpp,
382 +        SimState.hpp, Torsion.cpp: switched SimInfo to use a system
383 +        configuration from SimState rather than arrays from Atom
384 +
385 + 2003-08-06 19:47  chuckv
386 +
387 +        * libmdtools/Atom.hpp, libmdtools/EAM_FF.cpp,
388 +        libmdtools/SimInfo.cpp, libmdtools/calc_eam.F90,
389 +        libmdtools/do_Forces.F90, libmdtools/notifyCutoffs.F90,
390 +        samples/metals/Au.bass: Bug fixes for eam...
391 +
392 + 2003-08-01 11:18  tim
393 +
394 +        * libmdtools/: SimSetup.cpp, ZConstraint.cpp: stable version of
395 +        Z-Constraint
396 +
397 + 2003-07-31 14:59  tim
398 +
399 +        * ChangeLog, libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp,
400 +        libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp,
401 +        libmdtools/ZConstraint.cpp: add index range checking into
402 +        ZConstraint
403 +
404   2003-07-31 10:38  tim
405  
406          * libBASS/: Globals.cpp, Globals.hpp: added z-constraint parameters
# Line 13 | Line 416
416  
417   2003-07-30 16:17  chuckv
418  
419 <        * libmdtools/: EAM_FF.cpp, ForceFields.hpp, ReadWrite.hpp,
420 <        calc_eam.F90, do_Forces.F90, wrappers.F90: More bug fixes for eam.
419 >        * libmdtools/EAM_FF.cpp, libmdtools/ForceFields.hpp,
420 >        libmdtools/ReadWrite.hpp, libmdtools/calc_eam.F90,
421 >        libmdtools/do_Forces.F90, libmdtools/wrappers.F90,
422 >        samples/metals/Au.bass: More bug fixes for eam.
423  
424   2003-07-29 11:32  mmeineke
425  
426          * libmdtools/DumpReader.cpp, libmdtools/ReadWrite.hpp,
427 <        libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp, src/Makefile:
428 <        working on the props code
427 >        libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp,
428 >        props/frameCount.c, props/frameCount.h, props/props.cpp,
429 >        src/Makefile: working on the props code
430  
431   2003-07-29 11:32  mmeineke
432  
433          * libBASS/Globals.cpp: [no log message]
434  
435 + 2003-07-25 15:05  chuckv
436 +
437 +        * samples/metals/: Au.bass, metals.mdl: Added bass models for
438 +        metals
439 +
440   2003-07-25 15:00  chuckv
441  
442          * libmdtools/: Makefile, SimSetup.cpp, calc_eam.F90,
# Line 1152 | Line 1563
1563  
1564   2003-03-24 20:07  gezelter
1565  
1566 <        * samples/Makefile: moving tests to samples
1566 >        * samples/Makefile, tests/Makefile: moving tests to samples
1567  
1568   2003-03-24 20:06  gezelter
1569  
1570 <        * samples/: alkane/Makefile, alkane/alkanes.mdl,
1571 <        alkane/butane.bass, alkane/init_butane.eor, argon/Makefile,
1572 <        argon/argon.bass, argon/init_argon.eor, argon/lj.mdl,
1573 <        lipid/5x5.bass, lipid/Makefile, lipid/init_5x5.eor,
1574 <        lipid/lipid.mdl, lipid/water.mdl, water/Makefile,
1575 <        water/init_ssd.eor, water/ssd.bass, water/water.mdl: moved tests to
1576 <        samples
1570 >        * samples/alkane/Makefile, samples/alkane/alkanes.mdl,
1571 >        samples/alkane/butane.bass, samples/alkane/init_butane.eor,
1572 >        samples/argon/Makefile, samples/argon/argon.bass,
1573 >        samples/argon/init_argon.eor, samples/argon/lj.mdl,
1574 >        samples/lipid/5x5.bass, samples/lipid/Makefile,
1575 >        samples/lipid/init_5x5.eor, samples/lipid/lipid.mdl,
1576 >        samples/lipid/water.mdl, samples/water/Makefile,
1577 >        samples/water/init_ssd.eor, samples/water/ssd.bass,
1578 >        samples/water/water.mdl, tests/alkane/Makefile,
1579 >        tests/alkane/alkanes.mdl, tests/alkane/butane.bass,
1580 >        tests/alkane/init_butane.eor, tests/argon/Makefile,
1581 >        tests/argon/argon.bass, tests/argon/init_argon.eor,
1582 >        tests/argon/lj.mdl, tests/lipid/5x5.bass, tests/lipid/Makefile,
1583 >        tests/lipid/init_5x5.eor, tests/lipid/lipid.mdl,
1584 >        tests/lipid/water.mdl, tests/water/Makefile,
1585 >        tests/water/init_ssd.eor, tests/water/ssd.bass,
1586 >        tests/water/water.mdl: moved tests to samples
1587  
1588   2003-03-24 19:51  gezelter
1589  
# Line 1170 | Line 1591
1591  
1592   2003-03-24 19:46  gezelter
1593  
1594 <        * ac-tools/Make.conf.in: Added makefiles in tests directories
1594 >        * ac-tools/Make.conf.in, tests/Makefile, tests/alkane/Makefile,
1595 >        tests/argon/Makefile, tests/lipid/Makefile, tests/water/Makefile:
1596 >        Added makefiles in tests directories
1597  
1598   2003-03-24 16:55  gezelter
1599  
# Line 1187 | Line 1610
1610          * libmdtools/: Atom.hpp, ForceFields.cpp, SimInfo.cpp,
1611          do_Forces.F90: little bug fixes here and there
1612  
1613 + 2003-03-24 11:04  mmeineke
1614 +
1615 +        * tests/argon/: argon.bass, init_argon.eor, lj.mdl: added an argon
1616 +        test simulation
1617 +
1618 + 2003-03-24 11:02  mmeineke
1619 +
1620 +        * tests/: lipid/5x5.bass, lipid/init_5x5.eor, lipid/lipid.mdl,
1621 +        lipid/water.mdl, water/init_ssd.eor, water/ssd.bass,
1622 +        water/water.mdl: [no log message]
1623 +
1624 + 2003-03-24 11:02  mmeineke
1625 +
1626 +        * tests/alkane/: alkanes.mdl, butane.bass, init_butane.eor: added
1627 +        some test bass files for experimenting with
1628 +
1629   2003-03-24 10:26  mmeineke
1630  
1631          * libmdtools/: ForceFields.cpp, f_verlet_constrained.F90: fixed bug
# Line 1296 | Line 1735
1735          libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90,
1736          libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp,
1737          libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90,
1738 <        libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE
1739 <        Tree
1738 >        libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial
1739 >        revision
1740  
1741   2003-03-21 12:42  mmeineke
1742  
# Line 1354 | Line 1793
1793          libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90,
1794          libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp,
1795          libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90,
1796 <        libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial
1797 <        revision
1796 >        libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE
1797 >        Tree
1798  

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