[ViewVC] Diff of: group/trunk/OOPSE-3.0/ChangeLog

Comparing trunk/OOPSE-3.0/ChangeLog (file contents):
Revision 2116 by tim, Fri Mar 11 15:00:20 2005 UTC vs.
Revision 2205 by gezelter, Fri Apr 15 22:22:10 2005 UTC

#	Line 1 \| Line 1
1	<	2005-03-11 00:43 chrisfen
1	>	2005-04-15 17:03 gezelter
2	>
3	>	* src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
4	>	UseTheForce/EAM_FF.cpp, UseTheForce/EAM_FF.hpp,
5	>	UseTheForce/ForceField.cpp, UseTheForce/ForceField.hpp,
6	>	UseTheForce/ForceFieldCreator.hpp,
7	>	UseTheForce/ForceFieldFactory.cpp,
8	>	UseTheForce/ForceFieldFactory.hpp, UseTheForce/Shapes_FF.cpp,
9	>	UseTheForce/doForces.F90, UseTheForce/doForces_interface.F90,
10	>	UseTheForce/doForces_interface.h, UseTheForce/mpiComponentPlan.h,
11	>	UseTheForce/notifyCutoffs.F90,
12	>	UseTheForce/notifyCutoffs_interface.F90,
13	>	UseTheForce/notifyCutoffs_interface.h, UseTheForce/DarkSide/LJ.F90,
14	>	UseTheForce/DarkSide/atype.F90,
15	>	UseTheForce/DarkSide/atype_interface.F90,
16	>	UseTheForce/DarkSide/eam.F90,
17	>	UseTheForce/DarkSide/eam_interface.F90,
18	>	UseTheForce/DarkSide/eam_interface.h,
19	>	UseTheForce/DarkSide/electrostatic.F90,
20	>	UseTheForce/DarkSide/electrostatic_interface.F90,
21	>	UseTheForce/DarkSide/electrostatic_interface.h,
22	>	UseTheForce/DarkSide/force_globals.F90,
23	>	UseTheForce/DarkSide/gb.F90, UseTheForce/DarkSide/gb_interface.h,
24	>	UseTheForce/DarkSide/lj_interface.F90,
25	>	UseTheForce/DarkSide/lj_interface.h,
26	>	UseTheForce/DarkSide/neighborLists.F90,
27	>	UseTheForce/DarkSide/reactionField.F90,
28	>	UseTheForce/DarkSide/shapes.F90,
29	>	UseTheForce/DarkSide/shapes_interface.F90,
30	>	UseTheForce/DarkSide/shapes_interface.h,
31	>	UseTheForce/DarkSide/simParallel.F90,
32	>	UseTheForce/DarkSide/simParallel_interface.F90,
33	>	UseTheForce/DarkSide/simParallel_interface.h,
34	>	UseTheForce/DarkSide/simulation.F90,
35	>	UseTheForce/DarkSide/simulation_interface.F90,
36	>	UseTheForce/DarkSide/simulation_interface.h,
37	>	UseTheForce/DarkSide/sticky.F90,
38	>	UseTheForce/DarkSide/sticky_interface.F90,
39	>	UseTheForce/DarkSide/sticky_interface.h,
40	>	UseTheForce/DarkSide/switcheroo.F90,
41	>	applications/dump2Xyz/Dump2XYZ.cpp,
42	>	applications/dump2Xyz/Dump2XYZCmd.c,
43	>	applications/dump2Xyz/Dump2XYZCmd.h,
44	>	applications/dynamicProps/CrossTimeCorrFunc.cpp,
45	>	applications/dynamicProps/CrossTimeCorrFunc.hpp,
46	>	applications/dynamicProps/DipoleCorrFunc.cpp,
47	>	applications/dynamicProps/DipoleCorrFunc.hpp,
48	>	applications/dynamicProps/DynamicProps.cpp,
49	>	applications/dynamicProps/DynamicPropsCmd.c,
50	>	applications/dynamicProps/DynamicPropsCmd.h,
51	>	applications/dynamicProps/FrameTimeCorrFunc.hpp,
52	>	applications/dynamicProps/ParticleTimeCorrFunc.cpp,
53	>	applications/dynamicProps/ParticleTimeCorrFunc.hpp,
54	>	applications/dynamicProps/RCorrFunc.cpp,
55	>	applications/dynamicProps/RCorrFunc.hpp,
56	>	applications/dynamicProps/TimeCorrFunc.cpp,
57	>	applications/dynamicProps/TimeCorrFunc.hpp,
58	>	applications/dynamicProps/VCorrFunc.cpp,
59	>	applications/dynamicProps/VCorrFunc.hpp,
60	>	applications/nanoRodBuilder/GeometryBuilder.cpp,
61	>	applications/nanoRodBuilder/GeometryBuilder.hpp,
62	>	applications/nanoRodBuilder/nanorodBuilder.cpp,
63	>	applications/nanoRodBuilder/nanorodBuilderCmd.c,
64	>	applications/nanoRodBuilder/nanorodBuilderCmd.h,
65	>	applications/oopse/oopse.cpp,
66	>	applications/simpleBuilder/simpleBuilder.cpp,
67	>	applications/simpleBuilder/simpleBuilderCmd.c,
68	>	applications/simpleBuilder/simpleBuilderCmd.h,
69	>	applications/staticProps/GofAngle2.cpp,
70	>	applications/staticProps/GofAngle2.hpp,
71	>	applications/staticProps/GofR.cpp,
72	>	applications/staticProps/GofR.hpp,
73	>	applications/staticProps/GofRAngle.cpp,
74	>	applications/staticProps/GofRAngle.hpp,
75	>	applications/staticProps/GofXyz.cpp,
76	>	applications/staticProps/GofXyz.hpp,
77	>	applications/staticProps/RadialDistrFunc.cpp,
78	>	applications/staticProps/RadialDistrFunc.hpp,
79	>	applications/staticProps/StaticProps.cpp,
80	>	applications/staticProps/StaticPropsCmd.c,
81	>	applications/staticProps/StaticPropsCmd.h,
82	>	brains/BlockSnapshotManager.cpp, brains/BlockSnapshotManager.hpp,
83	>	brains/DataStorage.cpp, brains/DataStorage.hpp, brains/Exclude.cpp,
84	>	brains/Exclude.hpp, brains/ForceManager.cpp,
85	>	brains/ForceManager.hpp, brains/MoleculeCreator.cpp,
86	>	brains/MoleculeCreator.hpp, brains/Register.cpp,
87	>	brains/Register.hpp, brains/SimCreator.hpp, brains/SimInfo.cpp,
88	>	brains/SimInfo.hpp, brains/SimSnapshotManager.cpp,
89	>	brains/SimSnapshotManager.hpp, brains/Snapshot.cpp,
90	>	brains/Snapshot.hpp, brains/SnapshotManager.hpp, brains/Stats.cpp,
91	>	brains/Stats.hpp, brains/Thermo.cpp, brains/Thermo.hpp,
92	>	brains/fSimulation.h, constraints/ConstraintElem.hpp,
93	>	constraints/ConstraintPair.hpp, constraints/Rattle.cpp,
94	>	constraints/Rattle.hpp, constraints/ZconsStruct.hpp,
95	>	constraints/ZconstraintForceManager.cpp,
96	>	constraints/ZconstraintForceManager.hpp, integrators/DLM.cpp,
97	>	integrators/DLM.hpp, integrators/Integrator.cpp,
98	>	integrators/Integrator.hpp, integrators/IntegratorCreator.hpp,
99	>	integrators/IntegratorFactory.cpp,
100	>	integrators/IntegratorFactory.hpp, integrators/NPT.cpp,
101	>	integrators/NPT.hpp, integrators/NPTf.cpp, integrators/NPTf.hpp,
102	>	integrators/NPTi.cpp, integrators/NPTi.hpp, integrators/NPTxyz.cpp,
103	>	integrators/NPTxyz.hpp, integrators/NVE.cpp, integrators/NVE.hpp,
104	>	integrators/NVT.cpp, integrators/NVT.hpp,
105	>	integrators/RotationAlgorithm.hpp, integrators/Velocitizer.cpp,
106	>	integrators/Velocitizer.hpp,
107	>	integrators/VelocityVerletIntegrator.cpp,
108	>	integrators/VelocityVerletIntegrator.hpp,
109	>	io/AtomTypesSectionParser.cpp, io/AtomTypesSectionParser.hpp,
110	>	io/BASS_interface.cpp, io/BASS_interface.h, io/BASS_parse.c,
111	>	io/BASS_parse.h, io/BendTypesSectionParser.cpp,
112	>	io/BendTypesSectionParser.hpp, io/BondTypesSectionParser.cpp,
113	>	io/BondTypesSectionParser.hpp, io/ChargeAtomTypesSectionParser.cpp,
114	>	io/ChargeAtomTypesSectionParser.hpp,
115	>	io/DirectionalAtomTypesSectionParser.cpp,
116	>	io/DirectionalAtomTypesSectionParser.hpp, io/DumpReader.cpp,
117	>	io/DumpReader.hpp, io/DumpWriter.cpp, io/DumpWriter.hpp,
118	>	io/EAMAtomTypesSectionParser.cpp, io/EAMAtomTypesSectionParser.hpp,
119	>	io/Globals.cpp, io/Globals.hpp,
120	>	io/LennardJonesAtomTypesSectionParser.cpp,
121	>	io/LennardJonesAtomTypesSectionParser.hpp, io/LinkedAssign.cpp,
122	>	io/LinkedAssign.hpp, io/MultipoleAtomTypesSectionParser.cpp,
123	>	io/MultipoleAtomTypesSectionParser.hpp, io/RestReader.cpp,
124	>	io/RestReader.hpp, io/RestWriter.cpp, io/RestWriter.hpp,
125	>	io/SectionParser.cpp, io/SectionParser.hpp,
126	>	io/SectionParserManager.cpp, io/SectionParserManager.hpp,
127	>	io/StatWriter.cpp, io/StatWriter.hpp,
128	>	io/StickyAtomTypesSectionParser.cpp,
129	>	io/StickyAtomTypesSectionParser.hpp,
130	>	io/TorsionTypesSectionParser.cpp, io/TorsionTypesSectionParser.hpp,
131	>	io/ZConsReader.cpp, io/ZConsReader.hpp, io/ZConsWriter.cpp,
132	>	io/ZConsWriter.hpp, io/basic_ifstrstream.hpp, io/basic_teebuf.hpp,
133	>	io/interface.c, io/make_nodes.c, io/make_nodes.h, io/mpiBASS.c,
134	>	io/mpiBASS.h, io/node_list.h, io/parse_interface.h, io/parse_me.h,
135	>	io/parse_tree.c, io/parse_tree.h, lattice/CubicLattice.cpp,
136	>	lattice/CubicLattice.hpp, lattice/FCCLattice.cpp,
137	>	lattice/FCCLattice.hpp, lattice/Lattice.cpp, lattice/Lattice.hpp,
138	>	lattice/LatticeCreator.hpp, lattice/LatticeFactory.cpp,
139	>	lattice/LatticeFactory.hpp, math/ChebyshevPolynomials.cpp,
140	>	math/ChebyshevPolynomials.hpp, math/MatVec3.c, math/MatVec3.h,
141	>	math/MersenneTwister.hpp, math/ParallelRandNumGen.cpp,
142	>	math/ParallelRandNumGen.hpp, math/Polynomial.hpp,
143	>	math/Quaternion.hpp, math/RandNumGen.hpp,
144	>	math/RealSphericalHarmonic.cpp, math/RealSphericalHarmonic.hpp,
145	>	math/RectMatrix.hpp, math/SeqRandNumGen.cpp,
146	>	math/SeqRandNumGen.hpp, math/SquareMatrix.hpp,
147	>	math/SquareMatrix3.hpp, math/Vector.hpp, math/Vector3.hpp,
148	>	minimizers/CGFamilyMinimizer.cpp, minimizers/CGFamilyMinimizer.hpp,
149	>	minimizers/Minimizer.cpp, minimizers/Minimizer.hpp,
150	>	minimizers/MinimizerCreator.hpp, minimizers/MinimizerFactory.cpp,
151	>	minimizers/MinimizerFactory.hpp,
152	>	minimizers/MinimizerParameterSet.cpp,
153	>	minimizers/MinimizerParameterSet.hpp, minimizers/PRCG.cpp,
154	>	minimizers/PRCG.hpp, minimizers/SDMinimizer.cpp,
155	>	minimizers/SDMinimizer.hpp, primitives/Atom.cpp,
156	>	primitives/Atom.hpp, primitives/Bend.cpp, primitives/Bend.hpp,
157	>	primitives/Bond.hpp, primitives/CutoffGroup.hpp,
158	>	primitives/DirectionalAtom.cpp, primitives/DirectionalAtom.hpp,
159	>	primitives/GhostBend.cpp, primitives/GhostBend.hpp,
160	>	primitives/GhostTorsion.cpp, primitives/GhostTorsion.hpp,
161	>	primitives/Molecule.cpp, primitives/Molecule.hpp,
162	>	primitives/RigidBody.cpp, primitives/RigidBody.hpp,
163	>	primitives/StuntDouble.cpp, primitives/StuntDouble.hpp,
164	>	primitives/Torsion.cpp, primitives/Torsion.hpp,
165	>	primitives/UreyBradleyBend.cpp, primitives/UreyBradleyBend.hpp,
166	>	profiling/mdProfile.cpp, profiling/mdProfile.hpp,
167	>	profiling/timing.F90, restraints/Restraints.cpp,
168	>	restraints/Restraints.hpp,
169	>	restraints/ThermoIntegrationForceManager.cpp,
170	>	restraints/ThermoIntegrationForceManager.hpp,
171	>	selection/DistanceFinder.cpp, selection/DistanceFinder.hpp,
172	>	selection/IndexFinder.cpp, selection/IndexFinder.hpp,
173	>	selection/NameFinder.cpp, selection/NameFinder.hpp,
174	>	selection/SelectionCompiler.cpp, selection/SelectionCompiler.hpp,
175	>	selection/SelectionEvaluator.cpp, selection/SelectionEvaluator.hpp,
176	>	selection/SelectionManager.cpp, selection/SelectionManager.hpp,
177	>	selection/Token.cpp, selection/Token.hpp, selection/TokenMap.cpp,
178	>	selection/TokenMap.hpp, types/AtomStamp.cpp, types/AtomStamp.hpp,
179	>	types/AtomType.cpp, types/AtomType.hpp, types/AtomTypeProperties.h,
180	>	types/BendStamp.cpp, types/BendStamp.hpp, types/BendType.hpp,
181	>	types/BondStamp.cpp, types/BondStamp.hpp, types/BondType.hpp,
182	>	types/CharmmTorsionType.cpp, types/CharmmTorsionType.hpp,
183	>	types/Component.cpp, types/Component.hpp, types/CubicBendType.hpp,
184	>	types/CubicBondType.hpp, types/CubicTorsionType.hpp,
185	>	types/CutoffGroupStamp.cpp, types/CutoffGroupStamp.hpp,
186	>	types/DirectionalAtomType.hpp, types/FixedBondType.hpp,
187	>	types/HarmonicBendType.hpp, types/HarmonicBondType.hpp,
188	>	types/MakeStamps.cpp, types/MakeStamps.hpp,
189	>	types/MoleculeStamp.cpp, types/MoleculeStamp.hpp,
190	>	types/MorseBondType.hpp, types/OplsTorsionType.hpp,
191	>	types/PolynomialBendType.hpp, types/PolynomialBondType.hpp,
192	>	types/PolynomialTorsionType.hpp, types/QuarticBendType.hpp,
193	>	types/QuarticBondType.hpp, types/QuarticTorsionType.hpp,
194	>	types/RigidBodyStamp.cpp, types/RigidBodyStamp.hpp,
195	>	types/ShapeAtomType.cpp, types/ShapeAtomType.hpp,
196	>	types/TorsionStamp.cpp, types/TorsionStamp.hpp,
197	>	types/TorsionType.hpp, types/UreyBradleyBendType.hpp,
198	>	types/ZconStamp.cpp, types/ZconStamp.hpp, utils/Algorithm.hpp,
199	>	utils/BitSet.cpp, utils/BitSet.hpp, utils/GenericData.hpp,
200	>	utils/GenericFactory.hpp, utils/LocalIndexManager.hpp,
201	>	utils/MemoryUtils.hpp, utils/MoLocator.cpp, utils/MoLocator.hpp,
202	>	utils/NumericConstant.hpp, utils/OOPSEConstant.hpp,
203	>	utils/PropertyMap.cpp, utils/PropertyMap.hpp,
204	>	utils/StringTokenizer.cpp, utils/StringTokenizer.hpp,
205	>	utils/StringUtils.hpp, utils/Trim.cpp, utils/Trim.hpp,
206	>	utils/Tuple.hpp, utils/TupleMatcher.hpp, utils/TypeContainer.hpp,
207	>	utils/TypeInfo.hpp, utils/Utility.cpp, utils/Utility.hpp,
208	>	utils/any.hpp, utils/definitions.F90, utils/fError.c,
209	>	utils/getopt.c, utils/getopt1.c, utils/gnugetopt.h,
210	>	utils/next_combination.hpp, utils/oopseMPI.F90, utils/physmem.h,
211	>	utils/residentMem.h, utils/simError.c, utils/simError.h,
212	>	utils/status.F90, utils/vector_class.F90, utils/wildcards.hpp,
213	>	visitors/AtomData.hpp, visitors/AtomVisitor.cpp,
214	>	visitors/AtomVisitor.hpp, visitors/BaseVisitor.hpp,
215	>	visitors/CompositeVisitor.cpp, visitors/CompositeVisitor.hpp,
216	>	visitors/LipidTransVisitor.cpp, visitors/LipidTransVisitor.hpp,
217	>	visitors/OtherVisitor.cpp, visitors/OtherVisitor.hpp,
218	>	visitors/RigidBodyVisitor.cpp, visitors/RigidBodyVisitor.hpp,
219	>	visitors/ZconsVisitor.cpp, visitors/ZconsVisitor.hpp: xemacs has
220	>	been drafted to perform our indentation services
221	>
222	>	2005-04-15 17:03 gezelter
223	>
224	>	* configure, ac-tools/configure.in: Jedi mind-trick warning
225	>	messages have been added to make users ignore CGAL.
226	>
227	>	2005-04-15 13:41 tim
228	>
229	>	* make/Makefile.in: fix make install
230	>
231	>	2005-04-15 13:41 tim
232	>
233	>	* samples/: dipole/Makefile, shape/Makefile, water/dimer/Makefile:
234	>	add Makefile of samples
235	>
236	>	2005-04-15 13:33 tim
237	>
238	>	* samples/: lipid/Makefile, water/dimer/Makefile,
239	>	water/ssd-ion/Makefile, water/ssdrf/Makefile: some samples are not
240	>	installed correctly
241	>
242	>	2005-04-14 16:41 gezelter
243	>
244	>	* ChangeLog, configure, ac-tools/aclocal.m4, ac-tools/configure.in,
245	>	make/Makefile.in, scripts/cvs2cl, scripts/cvs2cl.pl,
246	>	scripts/filepp, scripts/filepp.in: configure now searches for perl
247	>	to use with filepp
248	>
249	>	2005-04-14 16:20 gezelter
250	>
251	>	* src/utils/MoLocator.cpp: Fixed a bug in RigidBodyStamp section of
252	>	MoLocator
253	>
254	>	2005-04-14 14:12 gezelter
255	>
256	>	* LICENSE: [no log message]
257	>
258	>	2005-04-14 11:10 chuckv
259	>
260	>	* src/applications/nanoRodBuilder/nanorodBuilder.cpp:
261	>	nanorodbuilder now exit's when libCGAL is not present.
262	>
263	>	2005-04-14 10:20 tim
264	>
265	>	* src/io/make_nodes.h: fix one more warning message in make_nodes
266	>
267	>	2005-04-13 18:36 chuckv
268	>
269	>	* src/UseTheForce/DarkSide/electrostatic_interface.F90: Changed
270	>	interface name for SGI Compiler
271	>
272	>	2005-04-13 18:29 chrisfen
273	>
274	>	* samples/water/ssde/ssde.md: oops... bad sample
275	>
276	>	2005-04-13 18:00 chuckv
277	>
278	>	* src/config.h.in: Change typo in CGAL.
279	>
280	>	2005-04-13 17:43 tim
281	>
282	>	* src/: brains/SnapshotManager.hpp, primitives/Torsion.hpp,
283	>	selection/SelectionCompiler.hpp: fix some warning messages
284	>
285	>	2005-04-13 17:30 gezelter
286	>
287	>	* configure, ac-tools/aclocal.m4, ac-tools/configure.in,
288	>	make/Makefile.in, src/config.h.in,
289	>	src/applications/nanoRodBuilder/Makefile,
290	>	src/applications/nanoRodBuilder/Makefile.in,
291	>	src/applications/nanoRodBuilder/nanorodBuilder.cpp: added CGAL
292	>	checks
293	>
294	>	2005-04-13 15:36 chuckv
295	>
296	>	* src/UseTheForce/: DUFF.cpp, DUFF.hpp, Shapes_FF.cpp,
297	>	DarkSide/LJ.F90, DarkSide/electrostatic.F90,
298	>	DarkSide/electrostatic_interface.F90,
299	>	DarkSide/electrostatic_interface.h, DarkSide/lj_interface.F90,
300	>	DarkSide/lj_interface.h, DarkSide/sticky.F90,
301	>	DarkSide/sticky_interface.F90, DarkSide/sticky_interface.h: Added
302	>	destroy methods for Fortran modules.
303	>
304	>	2005-04-13 15:17 chuckv
305	>
306	>	* src/UseTheForce/DarkSide/: shapes.F90, shapes_interface.F90,
307	>	shapes_interface.h: Added destroy method to clean up memory
308	>
309	>	2005-04-13 13:41 tim
310	>
311	>	* src/: applications/nanoRodBuilder/nanorodBuilder.cpp,
312	>	brains/SimCreator.cpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
313	>	io/make_nodes.c, io/parse_tree.c, primitives/Bend.hpp,
314	>	primitives/Bond.hpp, primitives/Torsion.hpp, types/MakeStamps.cpp,
315	>	types/MakeStamps.hpp, utils/MoLocator.cpp: more memory leak are
316	>	fixed
317	>
318	>	2005-04-12 17:44 chuckv
319	>
320	>	* src/applications/nanoRodBuilder/nanoBuilder.ggo: File not needed
321	>	for nanoRodBuilder.
322	>
323	>	2005-04-12 17:42 tim
324	>
325	>	* src/applications/: nanoRodBuilder/nanorodBuilder.cpp,
326	>	simpleBuilder/simpleBuilder.cpp: fix memory leak in nanorodBuilder
327	>	and simpleBuilder(forget to delete lattice)
328	>
329	>	2005-04-12 17:33 tim
330	>
331	>	* src/: applications/nanoRodBuilder/nanorodBuilder.cpp,
332	>	applications/simpleBuilder/simpleBuilder.cpp, brains/Register.cpp:
333	>	refactory lattice
334	>
335	>	2005-04-12 17:07 tim
336	>
337	>	* src/lattice/: BaseLattice.cpp, BaseLattice.hpp, CubicLattice.cpp,
338	>	CubicLattice.hpp, FCCLattice.cpp, FCCLattice.hpp, Lattice.cpp,
339	>	Lattice.hpp, Makefile, FCCLattice.hpp, Lattice.hpp: refactory
340	>	LatticeFactory and LatticeCreator
341	>
342	>	2005-04-12 16:58 tim
343	>
344	>	* src/: applications/nanoRodBuilder/nanorodBuilder.cpp,
345	>	applications/simpleBuilder/simpleBuilder.cpp, brains/Register.cpp,
346	>	brains/Register.hpp, lattice/Lattice.cpp, lattice/Lattice.hpp,
347	>	lattice/LatticeCreator.cpp, lattice/LatticeCreator.hpp,
348	>	lattice/LatticeFactory.cpp, lattice/LatticeFactory.hpp,
349	>	lattice/Makefile: refactory LatticeFactory and LatticeCreator
350	>
351	>	2005-04-12 16:28 gezelter
352	>
353	>	* src/utils/: Makefile.in, MoLocator.cpp, MoLocator.hpp,
354	>	vector_class.F90: cleaned up vector_class memory leak fix by
355	>	deallocating in reverse order of how we allocated. Also migrated
356	>	MoLocator into utils directory
357	>
358	>	2005-04-12 16:27 gezelter
359	>
360	>	* src/lattice/: BaseLattice.cpp, BaseLattice.hpp, Lattice.cpp,
361	>	Lattice.hpp, LatticeCreator.cpp, LatticeCreator.hpp,
362	>	LatticeFactory.cpp, LatticeFactory.hpp, Makefile: added lattice
363	>	directory
364	>
365	>	2005-04-12 16:27 gezelter
366	>
367	>	* src/applications/: nanoRodBuilder/BaseLattice.cpp,
368	>	nanoRodBuilder/BaseLattice.hpp, nanoRodBuilder/Lattice.cpp,
369	>	nanoRodBuilder/Lattice.hpp, nanoRodBuilder/LatticeCreator.cpp,
370	>	nanoRodBuilder/LatticeCreator.hpp,
371	>	nanoRodBuilder/LatticeFactory.cpp,
372	>	nanoRodBuilder/LatticeFactory.hpp, nanoRodBuilder/Makefile,
373	>	nanoRodBuilder/MoLocator.cpp, nanoRodBuilder/MoLocator.hpp,
374	>	nanoRodBuilder/nanorodBuilder.cpp, simpleBuilder/BaseLattice.cpp,
375	>	simpleBuilder/BaseLattice.hpp, simpleBuilder/Lattice.cpp,
376	>	simpleBuilder/Lattice.hpp, simpleBuilder/LatticeCreator.cpp,
377	>	simpleBuilder/LatticeCreator.hpp, simpleBuilder/LatticeFactory.cpp,
378	>	simpleBuilder/LatticeFactory.hpp, simpleBuilder/Makefile,
379	>	simpleBuilder/MoLocator.cpp, simpleBuilder/MoLocator.hpp,
380	>	simpleBuilder/simpleBuilder.cpp: added lattice directory, so all of
381	>	these files are now redundant
382	>
383	>	2005-04-12 16:27 gezelter
384	>
385	>	* src/UseTheForce/DarkSide/: atype_interface.F90,
386	>	atype_interface.h: cleaned up memory leak fix
387	>
388	>	2005-04-12 16:26 gezelter
389	>
390	>	* make/Makefile.in: added lattice subdirectory
391	>
392	>	2005-04-12 15:57 chrisfen
393	>
394	>	* src/UseTheForce/Shapes_FF.cpp: no real changes here, maybe added
395	>	a space by accident
396	>
397	>	2005-04-12 15:56 chrisfen
398	>
399	>	* samples/water/ssd-ion/: ssdCl.in, ssdCl.md, water.md: added
400	>	quadrupole sample
401	>
402	>	2005-04-12 15:56 chrisfen
403	>
404	>	* samples/water/dimer/: cl.in, cl.md, cl2.in, cl2.md: updating
405	>	samples
406	>
407	>	2005-04-12 13:30 tim
408	>
409	>	* src/UseTheForce/: ForceField.cpp, ForceField.hpp: destory atom
410	>	type in fortran side
411	>
412	>	2005-04-12 12:45 chuckv
413	>
414	>	* src/utils/vector_class.F90: Further changes to vector_class
415	>	destroy function.
416	>
417	>	2005-04-12 12:39 chuckv
418	>
419	>	* src/utils/vector_class.F90: Fixed pointer memory leak in
420	>	vector_class.
421	>
422	>	2005-04-12 12:12 chuckv
423	>
424	>	* src/UseTheForce/: EAM_FF.cpp, EAM_FF.hpp,
425	>	DarkSide/atype_interface.F90, DarkSide/atype_interface.h,
426	>	DarkSide/eam.F90, DarkSide/eam_interface.F90,
427	>	DarkSide/eam_interface.h: Updates to deallocate object in fortran.
428	>
429	>	2005-04-12 09:24 chrisfen
430	>
431	>	* src/integrators/VelocityVerletIntegrator.cpp: minor change to TI
432	>	output
433	>
434	>	2005-04-11 19:29 chuckv
435	>
436	>	* src/: UseTheForce/DarkSide/atype.F90,
437	>	applications/nanoRodBuilder/Makefile: Changes to delete atypes...
438	>
439	>	2005-04-11 19:28 chuckv
440	>
441	>	* src/utils/vector_class.F90: Added code to delete vector.
442	>
443	>	2005-04-11 17:03 chuckv
444	>
445	>	* samples/metals/nanorod/: Au_nanoparticle.md,
446	>	Au_nanoparticle_FCC.md, Au_nanoparticle_linux.md, metals.md: Why
447	>	aren't these here?
448	>
449	>	2005-04-11 16:58 tim
450	>
451	>	* src/io/basic_ifstrstream.hpp: avoid multiple inherit in
452	>	basic_ifstrstream
453	>
454	>	2005-04-11 16:37 chuckv
455	>
456	>	* make/Makefile.in,
457	>	src/applications/nanoRodBuilder/BaseLattice.cpp,
458	>	src/applications/nanoRodBuilder/BaseLattice.hpp,
459	>	src/applications/nanoRodBuilder/GeometryBuilder.cpp,
460	>	src/applications/nanoRodBuilder/GeometryBuilder.hpp,
461	>	src/applications/nanoRodBuilder/Lattice.cpp,
462	>	src/applications/nanoRodBuilder/Lattice.hpp,
463	>	src/applications/nanoRodBuilder/LatticeCreator.cpp,
464	>	src/applications/nanoRodBuilder/LatticeCreator.hpp,
465	>	src/applications/nanoRodBuilder/LatticeFactory.cpp,
466	>	src/applications/nanoRodBuilder/LatticeFactory.hpp,
467	>	src/applications/nanoRodBuilder/Makefile,
468	>	src/applications/nanoRodBuilder/MoLocator.cpp,
469	>	src/applications/nanoRodBuilder/MoLocator.hpp,
470	>	src/applications/nanoRodBuilder/nanoBuilder.ggo,
471	>	src/applications/nanoRodBuilder/nanorodBuilder.cpp,
472	>	src/applications/nanoRodBuilder/nanorodBuilder.ggo,
473	>	src/applications/nanoRodBuilder/nanorodBuilderCmd.c,
474	>	src/applications/nanoRodBuilder/nanorodBuilderCmd.h: Importing
475	>	nanoRodBuilder application (may not work yet). ((Doesn't work
476	>	yet.)) (((May never work....)))
477	>
478	>	2005-04-11 15:54 tim
479	>
480	>	* src/applications/dump2Xyz/Dump2XYZ.cpp: forget to delete
481	>	prepareVisitor in Dump2XYZ
482	>
483	>	2005-04-11 15:19 chrisfen
484	>
485	>	* src/UseTheForce/DarkSide/electrostatic.F90: fixing of the
486	>	quadrupoles. look! it's divide by 3 like stone says!
487	>
488	>	2005-04-11 15:18 chrisfen
489	>
490	>	* forceFields/DUFF2.frc: fixing of the quadrupoles
491	>
492	>	2005-04-11 15:16 tim
493	>
494	>	* src/selection/Token.hpp: change the parameter name in
495	>	constructors
496	>
497	>	2005-04-11 14:49 gezelter
498	>
499	>	* make/Makefile.in: One more bug fix for GNU make versions < 3.80
500	>
501	>	2005-04-11 14:06 gezelter
502	>
503	>	* make/Makefile.in: Fixed the uc and lc functions for GNU make
504	>	versions < 3.80
505	>
506	>	2005-04-11 11:13 gezelter
507	>
508	>	* make/Makefile.in, src/UseTheForce/Makefile,
509	>	src/UseTheForce/DarkSide/Makefile, src/utils/Makefile.in: added
510	>	some stuff to clean out module files during "make clean"
511	>
512	>	2005-04-08 17:13 chrisfen
513	>
514	>	* src/UseTheForce/DarkSide/electrostatic.F90: quadrupole
515	>	interactions should be working with a remaining question of
516	>	interaction magnitude
517	>
518	>	2005-04-08 17:12 chrisfen
519	>
520	>	* samples/water/dimer/: cl.in, cl.md, ssd.in, ssd.md: messing with
521	>	samples
522	>
523	>	2005-04-08 13:48 chrisfen
524	>
525	>	* samples/water/ssd/ssd.md: oops... messed up a sample
526	>
527	>	2005-04-08 09:43 chrisfen
528	>
529	>	* src/UseTheForce/DarkSide/electrostatic.F90: Altered signs to fix
530	>	charge-dipole interactions
531	>
532	>	2005-04-08 09:42 chrisfen
533	>
534	>	* samples/water/: dimer/cl.in, dimer/cl.md, dimer/water.md,
535	>	ssd/ssd.md, ssd/water.md: changes during debug of charge-dipole
536	>
537	>	2005-04-08 09:41 chrisfen
538	>
539	>	* forceFields/DUFF2.frc: added Cl- and Na+
540	>
541	>	2005-04-06 18:59 tim
542	>
543	>	* src/io/BASSlex.l: reinitialize buffer_stack_ptr in BASS parser
544	>
545	>	2005-04-05 18:09 tim
546	>
547	>	* src/selection/: NameFinder.cpp, SelectionCompiler.cpp,
548	>	SelectionCompiler.hpp, Token.hpp, TokenMap.cpp: support '+' and '-'
549	>	in atom type name;clean the code a little bit
550	>
551	>	2005-03-29 16:00 tim
552	>
553	>	* src/math/: ChebyshevPolynomials.cpp, SquareMatrix3.hpp: fix a bug
554	>	in converting rotation matrix to quaternion
555	>
556	>	2005-03-28 17:41 tim
557	>
558	>	* src/visitors/LipidTransVisitor.cpp: fixed the wrapping
559	>
560	>	2005-03-28 17:30 tim
561	>
562	>	* src/visitors/LipidTransVisitor.cpp: LipidTranVisitor should do
563	>	the wrapping
564	>
565	>	2005-03-28 10:54 tim
566	>
567	>	* src/applications/staticProps/GofXyz.cpp: fix a bug in getting the
568	>	dimension of histogram
569	>
570	>	2005-03-22 11:38 tim
571	>
572	>	* make/Makefile.in, src/applications/dump2Xyz/Makefile,
573	>	src/applications/dynamicProps/Makefile,
574	>	src/applications/oopse/Makefile,
575	>	src/applications/simpleBuilder/Makefile,
576	>	src/applications/staticProps/Makefile: avoid building parallel
577	>	executable for dump2XYZ, simpleBuilder, staticProps and
578	>	dynamicProps
579	>
580	>	2005-03-21 17:34 chrisfen
581	>
582	>	* forceFields/: DUFF2.frc, WATER.frc: Corrected changes to the
583	>	forcefield files
584
585	+	2005-03-21 15:51 chrisfen
586	+
587	+	* src/UseTheForce/: doForces.F90, DarkSide/electrostatic.F90,
588	+	DarkSide/reactionField.F90: Make sure electrostatic_module provides
589	+	data for reaction_field
590	+
591	+	2005-03-21 15:50 chrisfen
592	+
593	+	* forceFields/: DUFF2.frc, WATER.frc: Chris debugging stuff. HE
594	+	WILL CHANGE THIS BACK, RIGHT?
595	+
596	+	2005-03-21 14:23 gezelter
597	+
598	+	* src/UseTheForce/DarkSide/electrostatic.F90: constant back to
599	+	correct value
600	+
601	+	2005-03-21 14:22 gezelter
602	+
603	+	* make/Makefile.in: fixed an install-related bug.
604	+	$(InstallCommand) had been set to $(InstallData)
605	+
606	+	2005-03-15 09:21 gezelter
607	+
608	+	* src/integrators/Integrator.cpp: VelocityVerletIntegrator already
609	+	deletes and Nullifies restWriter, so Integrator shouldn't do it.
610	+
611	+	2005-03-15 09:20 gezelter
612	+
613	+	* src/UseTheForce/DarkSide/electrostatic.F90: fixed three typos
614	+
615	+	2005-03-13 02:39 gezelter
616	+
617	+	* src/UseTheForce/DarkSide/electrostatic.F90: first run at
618	+	charge-quadrupole interactions
619	+
620	+	2005-03-12 14:12 chrisfen
621	+
622	+	* samples/: Makefile.in, thermoIntegration/liquid/Makefile,
623	+	thermoIntegration/solid/Makefile: forgot a couple of makefiles
624	+
625	+	2005-03-12 14:05 chrisfen
626	+
627	+	* samples/thermoIntegration/liquid/ssde.in,
628	+	samples/thermoIntegration/liquid/ssde.md,
629	+	samples/thermoIntegration/liquid/water.md,
630	+	samples/thermoIntegration/solid/idealCrystal.in,
631	+	samples/thermoIntegration/solid/ssde.in,
632	+	samples/thermoIntegration/solid/ssde.md,
633	+	samples/thermoIntegration/solid/ssde.zang0,
634	+	samples/thermoIntegration/solid/water.md,
635	+	samples/water/tip3p_ice/tp3.md,
636	+	src/UseTheForce/DarkSide/sticky.F90,
637	+	src/restraints/ThermoIntegrationForceManager.cpp: added some
638	+	samples
639	+
640	+	2005-03-11 12:50 tim
641	+
642	+	* src/: brains/SimCreator.cpp,
643	+	io/MultipoleAtomTypesSectionParser.cpp: fix a typo in
644	+	MultipoleAtomTypesSectionParser
645	+
646	+	2005-03-11 10:55 tim
647	+
648	+	* src/brains/SimInfo.cpp: pairs inside cutoff group should not be
649	+	excluded
650	+
651	+	2005-03-11 10:53 gezelter
652	+
653	+	* src/UseTheForce/DarkSide/electrostatic.F90: settled on a unit for
654	+	quadrupoles
655	+
656	+	2005-03-11 10:52 gezelter
657	+
658	+	* forceFields/DUFF2.frc: quadrupoles for SSD models
659	+
660	+	2005-03-11 10:00 tim
661	+
662	+	* ChangeLog, doc/SelectionExpression.html,
663	+	doc/classoopse_1_1StuntDouble.png, doc/definition.jpg,
664	+	doc/gofr.jpg, doc/gofrtheta.jpg, doc/heirarchy.png,
665	+	src/brains/SimInfo.cpp, src/selection/SelectionEvaluator.cpp,
666	+	src/selection/SelectionEvaluator.hpp, src/selection/Token.hpp,
667	+	src/selection/TokenMap.cpp: clean up SimInfo; modify the images of
668	+	SelectionExpression.html
669	+
670	+	2005-03-10 19:43 chrisfen
671	+
672		* samples/water/ssde/ssde.md, samples/water/tip3p_ice/tp3.md,
673		src/io/RestReader.cpp, src/restraints/Restraints.cpp,
674		src/restraints/ThermoIntegrationForceManager.cpp: fixed a bug in
675		MPI restraints
676
677	<	2005-03-10 23:56 tim
677	>	2005-03-10 18:56 tim
678
679		* doc/SelectionExpression.html, src/brains/SimInfo.cpp,
680		src/primitives/CutoffGroup.hpp: adding exclude pairs for rigidbody
681		and cutoff group
682
683	<	2005-03-10 22:06 gezelter
683	>	2005-03-10 17:06 gezelter
684
685		* src/types/MorseBondType.hpp: fixed a doxygen problem
686
687	<	2005-03-10 21:51 gezelter
687	>	2005-03-10 16:51 gezelter
688
689		* samples/dipole/: split_SSD.md, twoSplitDipole.md: messing with
690		the split dipole test cases
691
692	<	2005-03-10 21:51 gezelter
692	>	2005-03-10 16:51 gezelter
693
694		* doc/SelectionExpression.html: updated some documentation
695
696	<	2005-03-10 20:40 gezelter
696	>	2005-03-10 15:40 gezelter
697
698		* src/io/: Globals.hpp, LinkedCommand.cpp, LinkedCommand.hpp,
699		Makefile: LinkedList removal project starts now
700
701	<	2005-03-10 20:28 tim
701	>	2005-03-10 15:28 tim
702
703		* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
704		io/EAMAtomTypesSectionParser.cpp, io/Globals.cpp, io/Globals.hpp:
705		using map to replace link list
706
707	<	2005-03-10 19:11 tim
707	>	2005-03-10 14:11 tim
708
709		* samples/dipole/: splitInWater.in, splitInWater.md: adding test
710		case of split dipole
711
712	<	2005-03-10 19:10 chrisfen
712	>	2005-03-10 14:10 chrisfen
713
714		* samples/water/tip3p_ice/tp3.md, src/io/RestReader.cpp,
715		src/io/RestWriter.cpp,
716		src/restraints/ThermoIntegrationForceManager.cpp: Oops... MPI now
717		builds...
718
719	<	2005-03-10 18:44 tim
719	>	2005-03-10 13:44 tim
720
721		* samples/dipole/: Lipid.frc, splitDipole.md, split_SSD.in,
722		split_SSD.md, twoSplitDipole.in, twoSplitDipole.md, water.md:
723		adding test case for split dipole
724
725	<	2005-03-10 17:54 gezelter
725	>	2005-03-10 12:54 gezelter
726
727		* src/UseTheForce/DarkSide/electrostatic.F90: added fortran-side
728		support for split dipoles
729
730	<	2005-03-10 16:27 chrisfen
730	>	2005-03-10 11:27 chrisfen
731
732		* samples/water/tip3p_ice/tp3.md,
733		src/restraints/ThermoIntegrationForceManager.cpp: fixes to
734		restraints
735
736	<	2005-03-10 16:15 chrisfen
736	>	2005-03-10 11:15 chrisfen
737
738		* samples/water/tip3p_ice/tp3.md, src/UseTheForce/ForceFields.cpp,
739		src/UseTheForce/ForceFields.hpp,
740		src/restraints/ThermoIntegrationForceManager.cpp: fixing restraints
741
742	<	2005-03-10 16:14 tim
742	>	2005-03-10 11:14 tim
743
744		* ChangeLog, doc/SelectionExpression.html, forceFields/DUFF2.frc,
745		src/io/MultipoleAtomTypesSectionParser.cpp,
746		src/selection/SelectionEvaluator.cpp: minor change
747
748	<	2005-03-10 15:10 chrisfen
748	>	2005-03-10 10:10 chrisfen
749
750		* make/Makefile.in, samples/water/tip3p_ice/tp3.md,
751		src/brains/SimCreator.cpp, src/brains/SimInfo.hpp,
#	Line 93 \| Line 762
762		src/restraints/ThermoIntegrationForceManager.hpp: First commit of
763		the new restraints code
764
765	<	2005-03-09 18:48 tim
765	>	2005-03-09 13:48 tim
766
767		* src/selection/: IndexFinder.cpp, IndexFinder.hpp: adding
768		IndexFinder
769
770	<	2005-03-09 18:46 tim
770	>	2005-03-09 13:46 tim
771
772		* src/: applications/dump2Xyz/Dump2XYZ.ggo,
773		applications/dump2Xyz/Dump2XYZCmd.c,
#	Line 106 \| Line 775
775		selection/SelectionCompiler.cpp, selection/SelectionEvaluator.cpp:
776		fix compilation issue
777
778	<	2005-03-09 17:58 tim
778	>	2005-03-09 12:58 tim
779
780		* forceFields/DUFF2.frc, scripts/filepp,
781		src/UseTheForce/EAM_FF.cpp,
#	Line 114 \| Line 783
783		src/io/SectionParser.cpp, test/math/testRandNumGen.cpp: fix a bug
784		in SectionParser (lineNo is not updated)
785
786	<	2005-03-09 17:30 tim
786	>	2005-03-09 12:30 tim
787
788		* src/: UseTheForce/DUFF.cpp, applications/dump2Xyz/Dump2XYZ.cpp,
789		applications/dump2Xyz/Dump2XYZ.ggo,
#	Line 136 \| Line 805
805		MultipoleAtomTypesSectionParser;remove print dipole option from
806		Dump2XYZ;
807
808	<	2005-03-09 17:28 tim
808	>	2005-03-09 12:28 tim
809
810		* forceFields/DUFF2.frc: change the format of DUFF2
811
812	<	2005-03-09 15:44 gezelter
812	>	2005-03-09 10:44 gezelter
813
814		* src/UseTheForce/DarkSide/: electrostatic.F90,
815		electrostatic_interface.F90, electrostatic_interface.h: new
816		electrostatic module
817
818	<	2005-03-09 14:26 gezelter
818	>	2005-03-09 09:26 gezelter
819
820		* src/types/: AtomType.cpp, AtomType.hpp, AtomTypeProperties.h,
821		DirectionalAtomType.cpp, DirectionalAtomType.hpp: added splitDipole
822		and fixed quadrupole stuff
823
824	<	2005-03-09 14:25 gezelter
824	>	2005-03-09 09:25 gezelter
825
826		* src/UseTheForce/: DUFF.cpp, EAM_FF.cpp: removed #include lines
827		for outdated charge and dipole interfaces
828
829	<	2005-03-08 21:08 gezelter
829	>	2005-03-08 16:08 gezelter
830
831		* samples/water/dimer/: cl.in, cl.md, cl2.in, cl2.md, mix.in,
832		mix.md, mix2.in, mix2.md, ssd.in, ssd.md: addded a few fun
833		charge-dipole test cases
834
835	<	2005-03-08 21:07 gezelter
835	>	2005-03-08 16:07 gezelter
836
837		* src/visitors/: AtomData.hpp, AtomVisitor.cpp, OtherVisitor.cpp,
838		OtherVisitor.hpp, RigidBodyVisitor.cpp, ZconsVisitor.cpp: fixing a
839		strange icc8 bug (we think).
840
841	<	2005-03-08 21:07 gezelter
841	>	2005-03-08 16:07 gezelter
842
843		* src/utils/: StringUtils.cpp, StringUtils.hpp: OOPSE_itoa!
844
845	<	2005-03-08 21:07 gezelter
845	>	2005-03-08 16:07 gezelter
846
847		* src/types/: AtomType.cpp, DirectionalAtomType.cpp: Electrostatic
848		Unification Project
849
850	<	2005-03-08 21:07 gezelter
850	>	2005-03-08 16:07 gezelter
851
852		* src/io/Globals.cpp: Dunno
853
854	<	2005-03-08 21:06 gezelter
854	>	2005-03-08 16:06 gezelter
855
856		* src/brains/: MoleculeCreator.cpp, SimCreator.cpp: Using
857		OOPSE_itoa and checking a NULL left over from the LinkedList days
858
859	<	2005-03-08 21:06 gezelter
859	>	2005-03-08 16:06 gezelter
860
861		* src/UseTheForce/DarkSide/: LJ.F90, Makefile, atype.F90,
862		atype_interface.F90, atype_interface.h, charge.F90,
#	Line 195 \| Line 864
864		dipole_interface.F90, dipole_interface.h: electrostatic unification
865		project fixed an uninitialized variable in Lennard Jones mixing map
866
867	<	2005-03-08 21:05 gezelter
867	>	2005-03-08 16:05 gezelter
868
869		* src/UseTheForce/doForces.F90: electrostatic unification project
870
871	<	2005-03-08 21:05 gezelter
871	>	2005-03-08 16:05 gezelter
872
873		* samples/water/dimer/: two.md, water.md: making some cool test
874		cases
875
876	<	2005-03-08 21:05 gezelter
876	>	2005-03-08 16:05 gezelter
877
878		* forceFields/DUFF2.frc: Added a charge for Chlorine
879
880	<	2005-03-07 22:39 tim
880	>	2005-03-07 17:39 tim
881
882		* src/: brains/SimInfo.cpp, io/DumpReader.cpp,
883		math/ParallelRandNumGen.cpp, math/ParallelRandNumGen.hpp,
884		primitives/Molecule.cpp, utils/BitSet.cpp, utils/MemoryUtils.hpp:
885		Fixing a bug in BitSet.cpp
886
887	<	2005-03-04 15:28 gezelter
887	>	2005-03-04 10:28 gezelter
888
889		* src/config.h.in: Cleaning up config.h.in by adding comments
890
891	<	2005-03-04 15:28 gezelter
891	>	2005-03-04 10:28 gezelter
892
893		* configure, ac-tools/configure.in, make/Makefile.in,
894		src/brains/SimCreator.cpp: SPRNG eradication project
895
896	<	2005-03-03 14:40 tim
896	>	2005-03-03 09:40 tim
897
898		* src/io/DumpWriter.cpp: avoid using const char*(hope can fixed the
899		missing atom type problem)
900
901	<	2005-03-02 16:29 tim
901	>	2005-03-02 11:29 tim
902
903		* src/math/RandNumGen.hpp: adding base class of Random Number
904		generator
905
906	<	2005-03-02 16:28 tim
906	>	2005-03-02 11:28 tim
907
908		* src/: brains/SimCreator.cpp, integrators/Velocitizer.cpp,
909		math/ParallelRandNumGen.hpp, math/SeqRandNumGen.hpp: info_ in
910		Velocitizer is not initialized which causes a seg fault
911
912	<	2005-03-02 15:36 tim
912	>	2005-03-02 10:36 tim
913
914		* src/: brains/SimCreator.cpp, integrators/Velocitizer.cpp,
915		integrators/Velocitizer.hpp, math/Makefile,
#	Line 250 \| Line 919
919		MersenneTwister.hpp which causes all kinds of trouble. Refactory
920		random number generator
921
922	<	2005-03-02 07:32 tim
922	>	2005-03-02 02:32 tim
923
924		* test/math/testRandNumGen.cpp: Adding unit test for random number
925		generator
926
927	<	2005-03-01 23:17 tim
927	>	2005-03-01 18:17 tim
928
929		* src/brains/Thermo.hpp: fixed a file inclusion problem
930
931	<	2005-03-01 23:17 tim
931	>	2005-03-01 18:17 tim
932
933		* test/math/: Makefile, OOPSERandNumGenTestCase.cpp,
934		OOPSERandNumGenTestCase.hpp, ParallelandNumGenTestCase.cpp,
935		ParallelandNumGenTestCase.hpp, RandNumGenTestCase.cpp,
936		RandNumGenTestCase.hpp: fixed compilation problem
937
938	<	2005-03-01 23:02 tim
938	>	2005-03-01 18:02 tim
939
940		* src/: brains/SimCreator.cpp, integrators/Velocitizer.cpp,
941		integrators/Velocitizer.hpp, math/Makefile,
#	Line 274 \| Line 943
943		math/ParallelRandNumGen.hpp, math/mt19937ar.c,
944		math/randomSPRNG.cpp, math/randomSPRNG.hpp: replace SPRNG by MTRand
945
946	<	2005-03-01 23:00 tim
946	>	2005-03-01 18:00 tim
947
948		* test/math/: Makefile, ParallelandNumGenTestCase.cpp,
949		ParallelandNumGenTestCase.hpp: Change the name of test case
950
951	<	2005-03-01 21:00 tim
951	>	2005-03-01 16:00 tim
952
953		* test/math/: Makefile, OOPSERandNumGenTestCase.cpp,
954		OOPSERandNumGenTestCase.hpp: adding testcase for random number
955		generator
956
957	<	2005-03-01 20:10 tim
957	>	2005-03-01 15:10 tim
958
959		* src/: UseTheForce/ForceFieldCreator.hpp, brains/SimCreator.hpp,
960		integrators/IntegratorCreator.hpp, math/MersenneTwister.hpp,
#	Line 296 \| Line 965
965		utils/TypeContainer.hpp, visitors/AtomVisitor.cpp,
966		visitors/RigidBodyVisitor.cpp: fix compilation problem for g++ 3.4
967
968	<	2005-03-01 19:11 tim
968	>	2005-03-01 14:11 tim
969
970		* src/: brains/SimCreator.cpp, brains/SimInfo.hpp,
971		integrators/Velocitizer.cpp, integrators/Velocitizer.hpp,
972		math/MersenneTwister.hpp, math/OOPSERandNumGen.hpp: adding
973		OOPSERandNumGen
974
975	<	2005-03-01 15:44 gezelter
975	>	2005-03-01 10:44 gezelter
976
977		* make/Makefile.in: Fixed the damned build problem with the
978		libraries not being removed in make clean and make distclean (at
979		least we think it is fixed).
980
981	<	2005-03-01 15:26 gezelter
981	>	2005-03-01 10:26 gezelter
982
983		* src/math/MersenneTwister.hpp: Making small modifications to allow
984		for use on MPI machines
985
986	<	2005-03-01 14:45 tim
986	>	2005-03-01 09:45 tim
987
988		* src/: applications/dump2Xyz/Dump2XYZ.cpp, brains/SimCreator.cpp,
989		integrators/Velocitizer.cpp, io/DumpReader.cpp,
990		math/MersenneTwister.hpp: adding MersenneTwister random number
991		generator
992
993	<	2005-03-01 03:55 tim
993	>	2005-02-28 22:55 tim
994
995		* src/math/MersenneTwister.hpp: Adding a modified version of
996		MersenneTwister.hpp
997
998	<	2005-02-28 17:24 tim
998	>	2005-02-28 12:24 tim
999
1000		* doc/: SelectionExpression.html, classoopse_1_1StuntDouble.png,
1001		definition.jpg: selection expression
1002
1003	<	2005-02-25 21:22 tim
1003	>	2005-02-25 16:22 tim
1004
1005		* src/: UseTheForce/DarkSide/LJ.F90,
1006		UseTheForce/DarkSide/lj_interface.F90,
#	Line 339 \| Line 1008
1008		io/LennardJonesAtomTypesSectionParser.cpp, types/AtomType.cpp,
1009		types/AtomType.hpp: adding soft potential to LJ Module
1010
1011	<	2005-02-25 16:38 tim
1011	>	2005-02-25 11:38 tim
1012
1013		* doc/SelectionExpression.html: adding documentation for selection
1014		expression
1015
1016	<	2005-02-24 20:55 tim
1016	>	2005-02-24 15:55 tim
1017
1018		* src/: applications/simpleBuilder/simpleBuilder.cpp,
1019		integrators/VelocityVerletIntegrator.cpp, io/DumpWriter.cpp,
#	Line 352 \| Line 1021
1021		adding basic_teebuf which can operate on multiple stream
1022		simutaneously.
1023
1024	<	2005-02-22 18:56 tim
1024	>	2005-02-22 14:26 chrisfen
1025
1026	+	* samples/water/ssdrf/: ssdrf.in, ssdrf.md, water.md: Added ssdrf
1027	+	sample
1028	+
1029	+	2005-02-22 13:56 tim
1030	+
1031		* src/: UseTheForce/DarkSide/reactionField.F90,
1032		primitives/RigidBody.cpp: reactionfield get fixed
1033
1034	<	2005-02-21 16:57 tim
1034	>	2005-02-21 11:57 tim
1035
1036		* src/: applications/staticProps/GofRAngle.cpp,
1037		visitors/LipidTransVisitor.cpp, visitors/LipidTransVisitor.hpp: Fix
1038		a bug in GofRAngle
1039
1040	<	2005-02-21 15:28 tim
1040	>	2005-02-21 10:28 tim
1041
1042		* src/primitives/Molecule.cpp: Fix for compilation on the Sun
1043
1044	<	2005-02-21 15:22 tim
1044	>	2005-02-21 10:22 tim
1045
1046		* src/utils/next_combination.hpp: fix for compilation on the Sun
1047
1048	<	2005-02-21 15:21 tim
1048	>	2005-02-21 10:21 tim
1049
1050		* src/utils/GenericData.hpp: fix problem in sun
1051
1052	<	2005-02-18 23:07 tim
1052	>	2005-02-18 18:07 tim
1053
1054		* src/: applications/dump2Xyz/Dump2XYZ.cpp,
1055		applications/dump2Xyz/Dump2XYZ.ggo,
#	Line 392 \| Line 1066
1066		visitors/LipidTransVisitor.cpp, visitors/LipidTransVisitor.hpp,
1067		visitors/Makefile: adding LipidTransVisitor, GofXyz is working now
1068
1069	<	2005-02-18 15:58 gezelter
1069	>	2005-02-18 10:58 gezelter
1070
1071		* src/brains/Register.cpp: Corrected filename collision for EAM on
1072		Mac OS X
1073
1074	<	2005-02-18 15:58 gezelter
1074	>	2005-02-18 10:58 gezelter
1075
1076		* src/applications/oopse/oopse.cpp: Updated copyright information
1077
1078	<	2005-02-18 15:58 gezelter
1078	>	2005-02-18 10:58 gezelter
1079
1080		* src/UseTheForce/: EAM.cpp, EAM.hpp, EAM_FF.cpp, EAM_FF.hpp,
1081		Makefile: corrected filename collision for EAM on operating systems
1082		which are not case sensitive (aka Mac OS X)
1083
1084	<	2005-02-17 20:15 tim
1084	>	2005-02-17 15:15 tim
1085
1086		* src/applications/staticProps/GofXyz.cpp: more bug get fixed
1087
1088	<	2005-02-17 19:50 tim
1088	>	2005-02-17 14:50 tim
1089
1090		* src/applications/staticProps/: GofXyz.cpp, GofXyz.hpp: fix a bug
1091		in GofXyz
1092
1093	<	2005-02-17 19:09 tim
1093	>	2005-02-17 14:09 tim
1094
1095		* src/applications/staticProps/RadialDistrFunc.hpp: make
1096		processHistogram non-abstrct function
1097
1098	<	2005-02-17 18:41 tim
1098	>	2005-02-17 13:41 tim
1099
1100		* src/applications/staticProps/GofXyz.cpp: [no log message]
1101
1102	<	2005-02-17 18:30 tim
1102	>	2005-02-17 13:30 tim
1103
1104		* src/applications/staticProps/: GofR.cpp, GofRAngle.cpp,
1105		GofXyz.cpp, GofXyz.hpp, RadialDistrFunc.cpp, RadialDistrFunc.hpp:
1106		finish GofXyz
1107
1108	<	2005-02-17 16:21 tim
1108	>	2005-02-17 11:21 tim
1109
1110		* src/applications/staticProps/: GofAngle2.cpp, GofR.cpp,
1111		GofRAngle.cpp, GofXyz.cpp: change the output format of 2D radial
1112		distribution function
1113
1114	<	2005-02-17 15:23 tim
1114	>	2005-02-17 10:23 tim
1115
1116		* src/utils/BitSet.hpp: forget the const correctness for BitSet
1117
1118	<	2005-02-17 15:18 tim
1118	>	2005-02-17 10:18 tim
1119
1120		* src/: brains/BlockSnapshotManager.cpp,
1121		selection/DistanceFinder.cpp: The change of interface of BitSet
1122		cause a bug in SelectionEvaluation
1123
1124	<	2005-02-16 21:13 tim
1124	>	2005-02-16 16:13 tim
1125
1126		* src/utils/residentMem.c: return residentMem in byte
1127
1128	<	2005-02-16 21:00 tim
1128	>	2005-02-16 16:00 tim
1129
1130		* src/applications/staticProps/: GofAngle2.cpp, GofRAngle.cpp: fix
1131		a bug in writing out the value of cosang
1132
1133	<	2005-02-16 20:43 tim
1133	>	2005-02-16 15:43 tim
1134
1135		* src/brains/BlockSnapshotManager.cpp: using PhysMem - RSSMem to
1136		estimate avaliable memory
1137
1138	<	2005-02-16 20:30 tim
1138	>	2005-02-16 15:30 tim
1139
1140		* src/: applications/staticProps/GofAngle2.cpp,
1141		applications/staticProps/GofAngle2.hpp,
#	Line 477 \| Line 1151
1151		applications/staticProps/StaticPropsCmd.h,
1152		brains/BlockSnapshotManager.cpp: change the default bin number
1153
1154	<	2005-02-16 19:36 tim
1154	>	2005-02-16 14:36 tim
1155
1156		* src/: applications/dynamicProps/DipoleCorrFunc.cpp,
1157		applications/dynamicProps/RCorrFunc.cpp,
#	Line 494 \| Line 1168
1168		utils/BitSet.cpp, utils/BitSet.hpp: change the suffix of output
1169		files;fix the problem of counting in staticProps
1170
1171	<	2005-02-15 19:39 tim
1171	>	2005-02-15 14:39 tim
1172
1173		* src/brains/BlockSnapshotManager.cpp: fix a bug in
1174		BlockSnapshotManager
1175
1176	<	2005-02-15 19:36 tim
1176	>	2005-02-15 14:36 tim
1177
1178		* src/: applications/dynamicProps/TimeCorrFunc.cpp,
1179		applications/staticProps/RadialDistrFunc.cpp,
#	Line 507 \| Line 1181
1181		selection/SelectionEvaluator.cpp: BlockSnapshotManager is using
1182		reference counting now
1183
1184	<	2005-02-15 17:49 tim
1184	>	2005-02-15 12:49 tim
1185
1186		* src/selection/: SelectionEvaluator.cpp, SelectionEvaluator.hpp:
1187		replace std::make_pair by VariablesType::value_type to make Sun
1188		Compiler happy
1189
1190	<	2005-02-15 17:35 tim
1190	>	2005-02-15 12:35 tim
1191
1192		* src/selection/: TokenMap.cpp, TokenMap.hpp: adding typedef to
1193		TokenMap, using TokenMapType::value_type instead of std::make_pair
1194		to make Sun compiler happy
1195
1196	<	2005-02-15 17:24 tim
1196	>	2005-02-15 12:24 tim
1197
1198		* src/applications/staticProps/: GofRAngle.cpp,
1199		RadialDistrFunc.cpp, RadialDistrFunc.hpp: bug fix in StaticProps
1200
1201	<	2005-02-15 17:11 tim
1201	>	2005-02-15 12:11 tim
1202
1203		* src/: applications/staticProps/GofR.cpp,
1204		applications/staticProps/RadialDistrFunc.cpp,
#	Line 533 \| Line 1207
1207		#ifdef __RWSTD to make sun compiler happy (2) fix pair density
1208		calculation problem when two selections intersect with each other
1209
1210	<	2005-02-15 15:24 gezelter
1210	>	2005-02-15 10:24 gezelter
1211
1212		* src/brains/BlockSnapshotManager.cpp: cast of NULL to satisfy
1213		xlc++
1214
1215	<	2005-02-15 15:17 gezelter
1215	>	2005-02-15 10:17 gezelter
1216
1217		* configure, ac-tools/configure.in, src/config.h.in,
1218		src/utils/residentMem.c: [no log message]
1219
1220	<	2005-02-15 06:17 gezelter
1220	>	2005-02-15 01:17 gezelter
1221
1222		* src/utils/residentMem.c: bug fix for null termination
1223
1224	<	2005-02-15 06:11 gezelter
1224	>	2005-02-15 01:11 gezelter
1225
1226		* configure, ac-tools/configure.in, src/utils/residentMem.c:
1227		bugfixing residentMem
1228
1229	<	2005-02-15 05:59 gezelter
1229	>	2005-02-15 00:59 gezelter
1230
1231		* configure, ac-tools/configure.in, src/config.h.in,
1232		src/utils/residentMem.c: bugfixes for residentMem on LINUX
1233
1234	<	2005-02-15 05:08 gezelter
1234	>	2005-02-15 00:08 gezelter
1235
1236		* src/utils/Makefile.in: added residentMem
1237
1238	<	2005-02-15 05:05 gezelter
1238	>	2005-02-15 00:05 gezelter
1239
1240		* configure, ac-tools/configure.in, make/Makefile.in,
1241		src/config.h.in, src/utils/physmem.h, src/utils/residentMem.c,
#	Line 569 \| Line 1243
1243		other processes autoconf fixes ps syntax checking config.h file
1244		cleaning
1245
1246	<	2005-02-14 23:26 gezelter
1246	>	2005-02-14 18:26 gezelter
1247
1248		* configure, ac-tools/configure.in, make/Makefile.in: ps niceness
1249
1250	<	2005-02-14 23:16 gezelter
1250	>	2005-02-14 18:16 gezelter
1251
1252		* configure, ac-tools/aclocal.m4, ac-tools/configure.in: ps
1253		strangeness
1254
1255	<	2005-02-14 19:42 tim
1255	>	2005-02-14 14:42 tim
1256
1257		* src/brains/BlockSnapshotManager.cpp: fix a bug in
1258		BlockSnapshotManager.hpp
1259
1260	<	2005-02-14 18:51 tim
1260	>	2005-02-14 13:51 tim
1261
1262		* src/applications/staticProps/: StaticProps.cpp, StaticProps.ggo,
1263		StaticPropsCmd.c: default length for staticProps is 1/2 smallest
1264		length of first frame
1265
1266	<	2005-02-14 18:12 tim
1266	>	2005-02-14 13:12 tim
1267
1268		* src/integrators/VelocityVerletIntegrator.cpp: fix a bug in
1269		VelocityVerletIntegrator : last frame is written twice
1270
1271	<	2005-02-14 17:57 tim
1271	>	2005-02-14 12:57 tim
1272
1273		* src/: applications/dynamicProps/TimeCorrFunc.cpp,
1274		brains/SimInfo.cpp, primitives/RigidBody.cpp,
1275		primitives/StuntDouble.hpp: begin bug fix
1276
1277	<	2005-02-14 17:35 tim
1277	>	2005-02-14 12:35 tim
1278
1279		* src/applications/dynamicProps/: CorrelationFunction.cpp,
1280		CorrelationFunction.hpp, CrossTimeCorrFunc.cpp,
#	Line 610 \| Line 1284
1284		RCorrFunc.hpp, TimeCorrFunc.cpp, TimeCorrFunc.hpp, VCorrFunc.cpp,
1285		VCorrFunc.hpp: refactory CorrelationFunction
1286
1287	<	2005-02-14 15:18 gezelter
1287	>	2005-02-14 10:18 gezelter
1288
1289		* src/applications/dynamicProps/CorrelationFunction.cpp: bug fix
1290		and start of switch for type of correlation function
1291
1292	<	2005-02-13 21:18 tim
1292	>	2005-02-13 16:18 tim
1293
1294		* src/brains/: DataStorage.cpp, SimInfo.cpp: fix a bug in
1295		calculating bytes per stuntdouble
1296
1297	<	2005-02-13 21:03 tim
1297	>	2005-02-13 16:03 tim
1298
1299		* src/applications/dynamicProps/CorrelationFunction.cpp: more fix
1300
1301	<	2005-02-13 20:57 tim
1301	>	2005-02-13 15:57 tim
1302
1303		* src/applications/dynamicProps/CorrelationFunction.cpp: fixed a
1304		bug in CorrelationFunction
1305
1306	<	2005-02-13 20:36 tim
1306	>	2005-02-13 15:36 tim
1307
1308		* src/: applications/staticProps/GofR.cpp,
1309		applications/staticProps/GofRAngle.cpp, brains/SimInfo.cpp: fixed a
1310		bug in SimInfo::getCutoff()
1311
1312	<	2005-02-13 20:08 tim
1312	>	2005-02-13 15:08 tim
1313
1314		* make/Makefile.in: adding staticProps and dynamicProps into
1315		Makefile.in
1316
1317	<	2005-02-13 20:05 tim
1317	>	2005-02-13 15:05 tim
1318
1319		* src/: applications/dynamicProps/CorrelationFunction.cpp,
1320		applications/dynamicProps/CorrelationFunction.hpp,
#	Line 651 \| Line 1325
1325		brains/SimInfo.hpp, integrators/Integrator.cpp: maximum length
1326		defaults to the cutoff radius
1327
1328	<	2005-02-13 19:14 tim
1328	>	2005-02-13 14:14 tim
1329
1330		* src/utils/Algorithm.hpp: adding Algorithm.hpp
1331
1332	<	2005-02-13 19:10 tim
1332	>	2005-02-13 14:10 tim
1333
1334		* src/: applications/dump2Xyz/Dump2XYZ.cpp,
1335		applications/dynamicProps/CorrelationFunction.cpp,
#	Line 669 \| Line 1343
1343		utils/BitSet.cpp, utils/BitSet.hpp, utils/physmem.h,
1344		visitors/OtherVisitor.cpp: dynamicProps get built
1345
1346	<	2005-02-13 15:56 tim
1346	>	2005-02-13 10:56 tim
1347
1348		* src/: applications/dynamicProps/CorrelationFunction.cpp,
1349		brains/BlockSnapshotManager.cpp, brains/BlockSnapshotManager.hpp,
1350		brains/DataStorage.cpp, brains/DataStorage.hpp: dynamicProps in
1351		progress
1352
1353	<	2005-02-13 08:04 tim
1353	>	2005-02-13 03:04 tim
1354
1355		* src/: applications/dynamicProps/CorrelationFunction.hpp,
1356		brains/BlockSnapshotManager.cpp, brains/BlockSnapshotManager.hpp,
#	Line 684 \| Line 1358
1358		brains/SimSnapshotManager.hpp, brains/SnapshotManager.hpp: more
1359		work in dynamicProps
1360
1361	<	2005-02-13 07:25 tim
1361	>	2005-02-13 02:25 tim
1362
1363		* src/applications/dynamicProps/DynamicProps.cpp: adding
1364		dynamicProps
1365
1366	<	2005-02-13 07:14 tim
1366	>	2005-02-13 02:14 tim
1367
1368		* src/applications/dynamicProps/: DynamicPropsCmd.c,
1369		DynamicPropsCmd.h: adding command line option to DynamicProps
1370
1371	<	2005-02-13 07:13 tim
1371	>	2005-02-13 02:13 tim
1372
1373		* src/applications/dynamicProps/: DynamicProps.ggo, Makefile:
1374		adding command line option for DynamicProps
1375
1376	<	2005-02-13 06:57 tim
1376	>	2005-02-13 01:57 tim
1377
1378		* src/: applications/dynamicProps/CorrelationFunction.cpp,
1379		applications/dynamicProps/CorrelationFunction.hpp,
#	Line 716 \| Line 1390
1390		primitives/RigidBody.cpp, primitives/RigidBody.hpp: adding
1391		dynamicProps
1392
1393	<	2005-02-12 20:09 tim
1393	>	2005-02-12 15:09 tim
1394
1395		* src/selection/SelectionManager.cpp: adding SelectionManager.cpp
1396
1397	<	2005-02-11 22:41 tim
1397	>	2005-02-11 17:41 tim
1398
1399		* src/brains/: SimInfo.cpp, SimInfo.hpp, Snapshot.hpp: adding one
1400		more constructor to Snapshot to create customized DataStorage
1401
1402	<	2005-02-11 22:39 tim
1402	>	2005-02-11 17:39 tim
1403
1404		* src/selection/: DistanceFinder.hpp, Makefile,
1405		SelectionManager.hpp: adding beginSelected, nextSelected method to
1406		SelectionManager
1407
1408	<	2005-02-11 22:36 tim
1408	>	2005-02-11 17:36 tim
1409
1410		* src/config.h.in, configure: adding support for physmem
1411
1412	<	2005-02-11 22:35 tim
1412	>	2005-02-11 17:35 tim
1413
1414		* ac-tools/configure.in: adding supprot for physmem
1415
1416	<	2005-02-11 22:35 tim
1416	>	2005-02-11 17:35 tim
1417
1418		* src/utils/: BitSet.hpp, Makefile.in, physmem.c, physmem.h: adding
1419		physmem
1420
1421	<	2005-02-10 22:37 tim
1421	>	2005-02-10 17:37 tim
1422
1423		* src/applications/staticProps/: GofAngle2.cpp, GofAngle2.hpp,
1424		GofR.cpp, GofR.hpp, GofRAngle.cpp, GofRAngle.hpp, GofXyz.cpp,
#	Line 752 \| Line 1426
1426		StaticProps.cpp, StaticProps.ggo, StaticPropsCmd.c,
1427		StaticPropsCmd.h: more work in StaticProps
1428
1429	<	2005-02-10 18:14 tim
1429	>	2005-02-10 13:14 tim
1430
1431		* src/applications/staticProps/: GofAngle2.cpp, GofAngle2.hpp,
1432		GofR.cpp, GofR.ggo, GofR.hpp, GofRAngle.cpp, GofRAngle.hpp,
#	Line 761 \| Line 1435
1435		StaticProps.cpp, StaticProps.ggo, StaticPropsCmd.c,
1436		StaticPropsCmd.h: change the filenames
1437
1438	<	2005-02-10 14:15 tim
1438	>	2005-02-10 09:15 tim
1439
1440		* src/applications/staticProps/: GofR.cpp, GofRAngle.cpp,
1441		GofRAngle.hpp, GofRMain.cpp, RadialDistrFunc.cpp,
1442		RadialDistrFunc.hpp: adding GofRAngle
1443
1444	<	2005-02-09 18:21 tim
1444	>	2005-02-09 13:21 tim
1445
1446		* src/applications/staticProps/: GofrCmd.c, GofrCmd.h: remove some
1447		useless files
1448
1449	<	2005-02-09 18:12 tim
1449	>	2005-02-09 13:12 tim
1450
1451		* src/applications/staticProps/: GofR.cpp, Makefile,
1452		RadialDistrFunc.cpp, RadialDistrFunc.hpp: staticProps in progress
1453
1454	<	2005-02-09 17:08 tim
1454	>	2005-02-09 12:08 tim
1455
1456		* src/applications/staticProps/: GofR.cpp, GofR.ggo, GofR.hpp,
1457		GofRCmd.c, GofRCmd.h, GofRMain.cpp, GofrCmd.c, GofrCmd.h,
1458		RadialDistrFunc.cpp, RadialDistrFunc.hpp: adding GofR
1459
1460	<	2005-02-07 22:39 tim
1460	>	2005-02-07 17:39 tim
1461
1462		* src/primitives/Molecule.hpp: add getRigidBodyAt function into
1463		Molecule class
1464
1465	<	2005-02-07 22:38 tim
1465	>	2005-02-07 17:38 tim
1466
1467		* src/applications/dump2Xyz/Dump2XYZCmd.c: update help info
1468
1469	<	2005-02-07 22:36 tim
1469	>	2005-02-07 17:36 tim
1470
1471		* src/selection/: NameFinder.cpp, NameFinder.hpp,
1472		SelectionCompiler.cpp: support select internal index selection, for
1473		example, select DMPC.3
1474
1475	<	2005-02-07 21:11 tim
1475	>	2005-02-07 16:11 tim
1476
1477		* src/applications/dump2Xyz/: Dump2XYZCmd.c, Dump2XYZCmd.h: update
1478		help info for Dump2XYZ
1479
1480	<	2005-02-07 20:39 chrisfen
1480	>	2005-02-07 15:39 chrisfen
1481
1482		* src/selection/: SelectionEvaluator.cpp, SelectionEvaluator.hpp:
1483		selection librarys added
1484
1485	<	2005-02-07 20:31 tim
1485	>	2005-02-07 15:31 tim
1486
1487		* src/selection/Makefile, make/Makefile.in: adding Makefile
1488
1489	<	2005-02-07 20:20 chrisfen
1489	>	2005-02-07 15:20 chrisfen
1490
1491		* src/utils/wildcards.hpp: issue commented out in wildcards
1492
1493	<	2005-02-07 20:06 tim
1493	>	2005-02-07 15:06 tim
1494
1495		* src/selection/SelectionEvaluator.cpp: forget to reset the pc
1496		which cause reevaluate return NULL
1497
1498	<	2005-02-07 19:14 tim
1498	>	2005-02-07 14:14 tim
1499
1500		* src/brains/: SimCreator.cpp, SimSnapshotManager.cpp,
1501		SimSnapshotManager.hpp: fix a bug in determing the global index for
1502		rigidbodies
1503
1504	<	2005-02-07 19:13 tim
1504	>	2005-02-07 14:13 tim
1505
1506		* src/utils/: BitSet.cpp, BitSet.hpp, StringUtils.hpp: minor change
1507		in Bitset
1508
1509	<	2005-02-07 19:13 tim
1509	>	2005-02-07 14:13 tim
1510
1511		* src/selection/: DistanceFinder.cpp, DistanceFinder.hpp,
1512		SelectionCompiler.cpp, SelectionCompiler.hpp,
1513		SelectionEvaluator.cpp, SelectionEvaluator.hpp, Token.hpp,
1514		TokenMap.cpp: selection library is working
1515
1516	<	2005-02-04 22:46 tim
1516	>	2005-02-04 17:46 tim
1517
1518		* src/applications/dump2Xyz/Dump2XYZ.cpp: remove SelectionVisitor
1519
1520	<	2005-02-04 22:45 tim
1520	>	2005-02-04 17:45 tim
1521
1522		* src/visitors/: OtherVisitor.cpp, OtherVisitor.hpp: IgnoreVisitor
1523		and XYZVisitor now use selection library
1524
1525	<	2005-02-04 22:44 tim
1525	>	2005-02-04 17:44 tim
1526
1527		* src/brains/: MoleculeCreator.cpp, SimInfo.cpp, SimInfo.hpp:
1528		adding SelectionManager into SimInfo
1529
1530	<	2005-02-04 22:43 tim
1530	>	2005-02-04 17:43 tim
1531
1532		* src/applications/dump2Xyz/: Dump2XYZ.cpp, Dump2XYZ.ggo,
1533		Dump2XYZCmd.c, Dump2XYZCmd.h: dump2Xyz now take advantage of
1534		selection library
1535
1536	<	2005-02-04 22:42 tim
1536	>	2005-02-04 17:42 tim
1537
1538		* src/utils/: BitSet.hpp, Makefile.in, wildcards.cpp: minor change
1539		in BitSet
1540
1541	<	2005-02-04 22:41 tim
1541	>	2005-02-04 17:41 tim
1542
1543		* src/primitives/: Molecule.hpp, RigidBody.hpp: adding missing
1544		implementation
1545
1546	<	2005-02-04 22:39 tim
1546	>	2005-02-04 17:39 tim
1547
1548		* src/selection/: NameFinder.cpp, NameFinder.hpp,
1549		SelectionCompiler.cpp, SelectionCompiler.hpp,
#	Line 877 \| Line 1551
1551		SelectionManager.hpp, Token.hpp: half of the selection utility is
1552		working need to debug within keyword and atomproperty keyword
1553
1554	<	2005-02-04 05:42 tim
1554	>	2005-02-04 00:42 tim
1555
1556		* src/selection/: NameFinder.cpp, NameFinder.hpp: selection library
1557		get built
1558
1559	<	2005-02-04 05:42 tim
1559	>	2005-02-04 00:42 tim
1560
1561		* src/utils/: BitSet.cpp, BitSet.hpp: fix BitSet
1562
1563	<	2005-02-04 05:26 tim
1563	>	2005-02-04 00:26 tim
1564
1565		* src/brains/: ForceFields.cpp, Migrator.hpp, SimCreator.cpp:
1566		remove some useless files
1567
1568	<	2005-02-04 04:57 tim
1568	>	2005-02-03 23:57 tim
1569
1570		* src/: primitives/RigidBody.hpp, selection/NameFinder.cpp,
1571		selection/NameFinder.hpp, utils/wildcards.cpp, utils/wildcards.hpp:
1572		adding wildcard class; NameFinder is finished
1573
1574	<	2005-02-03 23:14 tim
1574	>	2005-02-03 18:14 tim
1575
1576		* src/selection/: NameFinder.cpp, NameFinder.hpp,
1577		SelectionCompiler.cpp, SelectionCompiler.hpp,
#	Line 905 \| Line 1579
1579		SelectionManager.hpp, Token.hpp, TokenMap.cpp: more work in
1580		selection library
1581
1582	<	2005-02-03 14:04 tim
1582	>	2005-02-03 09:04 tim
1583
1584		* src/selection/: SelectionEvaluator.cpp, SelectionEvaluator.hpp:
1585		selection in progress
1586
1587	<	2005-02-02 23:13 tim
1587	>	2005-02-02 18:13 tim
1588
1589		* src/selection/: SelectionCompiler.cpp, SelectionCompiler.hpp,
1590		SelectionEvaluator.cpp, SelectionEvaluator.hpp, Token.cpp,
1591		Token.hpp, TokenMap.cpp, TokenMap.hpp: selection library in
1592		progress, except SelectionEvaluator, other files are compiled
1593
1594	<	2005-02-02 23:12 tim
1594	>	2005-02-02 18:12 tim
1595
1596		* src/utils/: Makefile.in, any.hpp: adding boost::any
1597
1598	<	2005-02-02 12:51 tim
1598	>	2005-02-02 07:51 tim
1599
1600		* src/selection/SelectionCompiler.cpp: add SelectionCompiler.cpp
1601
1602	<	2005-02-01 22:49 tim
1602	>	2005-02-01 17:49 tim
1603
1604		* src/: utils/BitSet.cpp, utils/BitSet.hpp, utils/StringUtils.hpp,
1605		selection/SelectionCompiler.hpp, selection/SelectionEvaluator.cpp,
1606		selection/SelectionEvaluator.hpp, selection/SelectionManager.hpp,
1607		selection/Token.hpp: Selection in progress
1608
1609	<	2005-02-01 06:55 tim
1609	>	2005-02-01 01:55 tim
1610
1611		* src/: selection/SelectionCompiler.hpp,
1612		selection/SelectionEvaluator.cpp, selection/SelectionEvaluator.hpp,
1613		selection/SelectionManager.hpp, selection/Token.hpp,
1614		utils/BitSet.cpp, utils/BitSet.hpp: adding selection library
1615
1616	<	2005-01-26 15:26 tim
1616	>	2005-01-26 10:26 tim
1617
1618		* src/integrators/: Integrator.cpp, Integrator.hpp,
1619		VelocityVerletIntegrator.cpp, VelocityVerletIntegrator.hpp: forget
1620		to add eorWriter
1621
1622	<	2005-01-26 15:15 tim
1622	>	2005-01-26 10:15 tim
1623
1624		* src/: primitives/GhostTorsion.cpp, visitors/AtomVisitor.cpp:
1625		(1)Cast wrong atom to DirectionalAtom in GhostTorsion (2)get the
1626		wrong column of electroframe
1627
1628	<	2005-01-25 21:59 tim
1628	>	2005-01-25 16:59 tim
1629
1630		* src/: brains/SimInfo.cpp, io/DumpReader.cpp: fix a bug in
1631		SimInfo, use number of cutoff stamp as counter to loop over
1632		rigidbody stamp
1633
1634	<	2005-01-25 17:45 tim
1634	>	2005-01-25 12:45 tim
1635
1636		* src/: applications/dump2Xyz/Dump2XYZ.cpp,
1637		brains/MoleculeCreator.cpp, brains/SimCreator.cpp,
#	Line 977 \| Line 1651
1651		inertial tensor from the directional atoms before calculate
1652		rigidbody's inertial tensor
1653
1654	<	2005-01-17 22:17 tim
1654	>	2005-01-17 17:17 tim
1655
1656		* forceFields/DUFF2.frc: forget to set dipole for lipid head group
1657
1658	<	2005-01-17 16:58 tim
1658	>	2005-01-17 11:58 tim
1659
1660		* src/integrators/NVT.cpp: fix a bug in loading initial extended
1661		system parameters
1662
1663	<	2005-01-17 16:05 tim
1663	>	2005-01-17 11:05 tim
1664
1665		* src/integrators/NVT.cpp: forget to set maxIterNum_ in NVT
1666
1667	<	2005-01-14 22:02 tim
1667	>	2005-01-14 17:02 tim
1668
1669		* src/UseTheForce/WATER.cpp: remove WATER.cpp
1670
1671	<	2005-01-14 21:37 tim
1671	>	2005-01-14 16:37 tim
1672
1673		* forceFields/Makefile: sync Makefile
1674
1675	<	2005-01-14 21:13 gezelter
1675	>	2005-01-14 16:13 gezelter
1676
1677		* make/Makefile.in, src/Makefile, src/UseTheForce/Makefile,
1678		src/UseTheForce/DarkSide/Makefile, src/applications/Makefile,
#	Line 1012 \| Line 1686
1686		src/visitors/Makefile: moved Package variable into subdirectory
1687		makefiles to speed up the building process
1688
1689	<	2005-01-14 20:48 gezelter
1689	>	2005-01-14 15:48 gezelter
1690
1691		* src/applications/oopse/oopse.cpp: Fixed publication details in
1692		banner
1693
1694	<	2005-01-14 20:48 gezelter
1694	>	2005-01-14 15:48 gezelter
1695
1696		* src/UseTheForce/DarkSide/: simParallel_interface.F90,
1697		simParallel_interface.h: added dummy subroutine to avoid empty
1698		unit, synchronized this dummy routine between C and fortran
1699
1700	<	2005-01-14 20:31 gezelter
1700	>	2005-01-14 15:31 gezelter
1701
1702		* src/UseTheForce/: Makefile, doForces.F90, doForces_interface.F90,
1703		notifyCutoffs.F90, notifyCutoffs_interface.F90, DarkSide/LJ.F90,
#	Line 1039 \| Line 1713
1713		DarkSide/sticky.F90, DarkSide/sticky_interface.F90: separating
1714		modules and C/Fortran interface subroutines
1715
1716	<	2005-01-14 20:15 gezelter
1716	>	2005-01-14 15:15 gezelter
1717
1718		* configure, ac-tools/aclocal.m4: more fixes for gnugetopt
1719
1720	<	2005-01-14 20:09 gezelter
1720	>	2005-01-14 15:09 gezelter
1721
1722		* configure, ac-tools/configure.in, src/config.h.in,
1723		src/utils/Makefile, src/utils/Makefile.in: fixing for gnugetopt
1724
1725	<	2005-01-14 16:49 tim
1725	>	2005-01-14 11:49 tim
1726
1727		* src/: io/EAMAtomTypesSectionParser.cpp,
1728		utils/StringTokenizer.cpp, utils/StringTokenizer.hpp,
1729		utils/StringUtils.hpp: using c library to do conversion instead of
1730		using iostream due to a bug in libstdc++(GCC 3.2)
1731
1732	<	2005-01-14 02:40 tim
1732	>	2005-01-13 21:40 tim
1733
1734		* src/brains/SimSetup.cpp: no message
1735
1736	<	2005-01-14 01:56 tim
1736	>	2005-01-13 20:56 tim
1737
1738		* src/primitives/Molecule.hpp: fix a bug in global index
1739
1740	<	2005-01-14 01:04 tim
1740	>	2005-01-13 20:04 tim
1741
1742		* src/minimizers/: Minimizer.cpp, Minimizer.hpp: remove include
1743		Integrator.hpp in Minimizer
1744
1745	<	2005-01-13 22:14 gezelter
1745	>	2005-01-13 17:14 gezelter
1746
1747		* src/utils/Makefile: compile getopt and getopt1 if we need to
1748
1749	<	2005-01-13 21:56 gezelter
1749	>	2005-01-13 16:56 gezelter
1750
1751		* make/Makefile.in: template flags
1752
1753	<	2005-01-13 21:48 gezelter
1753	>	2005-01-13 16:48 gezelter
1754
1755		* src/applications/oopse/Makefile: formatting
1756
1757	<	2005-01-13 21:48 gezelter
1757	>	2005-01-13 16:48 gezelter
1758
1759		* make/Makefile.in: fixed a MakeDir / MkDir problem added BinDir
1760		target
1761
1762	<	2005-01-13 19:40 tim
1762	>	2005-01-13 14:40 tim
1763
1764		* src/: UseTheForce/fSwitchingFunction.h,
1765		UseTheForce/mpiComponentPlan.h, brains/fSimulation.h, io/Makefile,
#	Line 1093 \| Line 1767
1767		primitives/RigidBody.cpp, types/AtomTypeProperties.h,
1768		types/CharmmTorsionType.cpp, utils/simError.h: port to SGI platform
1769
1770	<	2005-01-13 18:26 tim
1770	>	2005-01-13 13:26 tim
1771
1772		* make/Makefile.in: change the order of linking (object file comes
1773		first and then follow by user built library)
1774
1775	<	2005-01-12 23:24 tim
1775	>	2005-01-12 18:24 tim
1776
1777		* src/io/DumpWriter.cpp: remove useless debug info
1778
1779	<	2005-01-12 23:21 tim
1779	>	2005-01-12 18:21 tim
1780
1781		* src/applications/dump2Xyz/Dump2XYZ.cpp: minor fix
1782
1783	<	2005-01-12 23:17 tim
1783	>	2005-01-12 18:17 tim
1784
1785		* make/: Makefile.in, Makefile.in: missing tab
1786
1787	<	2005-01-12 23:15 tim
1787	>	2005-01-12 18:15 tim
1788
1789		* src/visitors/: AtomVisitor.cpp, AtomVisitor.hpp: LinearVisitor
1790		get fixed
1791
1792	<	2005-01-12 22:40 gezelter
1792	>	2005-01-12 17:40 gezelter
1793
1794		* make/Makefile.in, src/UseTheForce/DUFF.cpp,
1795		src/UseTheForce/DUFF.hpp, src/UseTheForce/EAM.cpp,
#	Line 1325 \| Line 1999
1999		src/visitors/ZconsVisitor.hpp: merging new_design branch into
2000		OOPSE-2.0
2001
2002	<	2005-01-12 18:13 tim
2002	>	2005-01-12 13:13 tim
2003
2004		* src/: io/SectionParserManager.cpp, primitives/RigidBody.cpp,
2005		utils/TypeContainer.hpp: forget to include <algorithm>
2006
2007	<	2005-01-12 17:25 tim
2007	>	2005-01-12 12:25 tim
2008
2009		* forceFields/: DUFF.frc, DipoleTest.frc, LJFF.frc, newEAM.VC.frc,
2010		newEAM.frc, newEAM.u3.frc, newEAM.u6.frc: remove some useless force
2011		fields
2012
2013	<	2005-01-12 17:14 tim
2013	>	2005-01-12 12:14 tim
2014
2015		* src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
2016		UseTheForce/EAM.cpp, UseTheForce/EAM.hpp,
#	Line 1498 \| Line 2172
2172		visitors/RigidBodyVisitor.hpp, visitors/ZconsVisitor.cpp,
2173		visitors/ZconsVisitor.hpp: change license
2174
2175	<	2005-01-12 17:14 tim
2175	>	2005-01-12 12:14 tim
2176
2177		* src/brains/Snapshot.cpp: file Snapshot.cpp was initially added on
2178		branch new_design.
2179
2180	<	2005-01-11 21:03 tim
2180	>	2005-01-11 16:03 tim
2181
2182		* src/: constraints/ZconstraintForceManager.cpp,
2183		constraints/ZconstraintForceManager.hpp,
#	Line 1511 \| Line 2185
2185		minimizers/MinimizerParameterSet.hpp: change const static double
2186		data member to const double
2187
2188	<	2005-01-11 20:50 tim
2188	>	2005-01-11 15:50 tim
2189
2190		* src/io/basic_ifstrstream.hpp: forget namespace qualifier std::
2191
2192	<	2005-01-11 20:39 tim
2192	>	2005-01-11 15:39 tim
2193
2194		* src/: UseTheForce/DarkSide/atype.F90, types/AtomTypeProperties.h:
2195		change data type from logical to integer in AtomTypeProperties.h
2196
2197	<	2005-01-11 16:36 tim
2197	>	2005-01-11 11:36 tim
2198
2199		* forceFields/: EAM.VC.frc, EAM.frc, EAM.u3.frc, EAM.u6.frc: adding
2200		new format of EAM force field
2201
2202	<	2005-01-11 16:24 tim
2202	>	2005-01-11 11:24 tim
2203
2204		* src/UseTheForce/DUFF.cpp: change default name of DUFF force field
2205		to DUFF2.frc
2206
2207	<	2005-01-11 16:23 tim
2207	>	2005-01-11 11:23 tim
2208
2209		* forceFields/: DUFF2.frc, newDUFF.frc: rename newDUFF.frc to
2210		DUFF2.frc
2211
2212	<	2005-01-11 16:09 tim
2212	>	2005-01-11 11:09 tim
2213
2214		* make/Makefile.in: adding constraints and minimizers into
2215		Makefile.in
2216
2217	<	2005-01-11 16:03 tim
2217	>	2005-01-11 11:03 tim
2218
2219		* src/io/: ChargeAtomTypesSectionParser.cpp,
2220		ChargeAtomTypesSectionParser.hpp, DipoleAtomTypesSectionParser.cpp,
2221		DipoleAtomTypesSectionParser.hpp, Makefile: remove some useless
2222		files
2223
2224	<	2005-01-11 15:59 tim
2224	>	2005-01-11 10:59 tim
2225
2226		* src/io/ZConsWriter.cpp: [no log message]
2227
2228	<	2005-01-11 15:53 tim
2228	>	2005-01-11 10:53 tim
2229
2230		* src/UseTheForce/EAM.cpp: minor fix
2231
2232	<	2005-01-11 15:52 tim
2232	>	2005-01-11 10:52 tim
2233
2234		* src/constraints/Rattle.hpp: file Rattle.hpp was initially added
2235		on branch new_design.
2236
2237	<	2005-01-11 15:52 tim
2237	>	2005-01-11 10:52 tim
2238
2239		* src/constraints/Rattle.cpp: file Rattle.cpp was initially added
2240		on branch new_design.
2241
2242	<	2005-01-11 15:52 tim
2242	>	2005-01-11 10:52 tim
2243
2244		* src/constraints/: Rattle.cpp, Rattle.hpp: adding Rattle Algorithm
2245
2246	<	2005-01-11 15:47 tim
2246	>	2005-01-11 10:47 tim
2247
2248		* make/Makefile.in: forget a '$' sign
2249
2250	<	2005-01-11 15:46 tim
2250	>	2005-01-11 10:46 tim
2251
2252		* make/Makefile.in: missing tab in rules
2253
2254	<	2005-01-10 22:04 tim
2254	>	2005-01-10 17:04 tim
2255
2256		* src/: UseTheForce/ForceFieldCreator.cpp,
2257		UseTheForce/ForceFieldCreator.hpp,
#	Line 1596 \| Line 2270
2270		minimizers/MinimizerFactory.hpp: create a register module to
2271		register force fields, integrators and minimizers
2272
2273	<	2005-01-10 22:04 tim
2273	>	2005-01-10 17:04 tim
2274
2275		* src/brains/Register.cpp: file Register.cpp was initially added on
2276		branch new_design.
2277
2278	<	2005-01-10 22:04 tim
2278	>	2005-01-10 17:04 tim
2279
2280		* src/brains/Register.hpp: file Register.hpp was initially added on
2281		branch new_design.
2282
2283	<	2005-01-10 20:52 tim
2283	>	2005-01-10 15:52 tim
2284
2285		* src/: UseTheForce/ForceFieldFactory.cpp,
2286		applications/oopse/oopse.cpp, brains/ForceManager.hpp,
#	Line 1618 \| Line 2292
2292		visitors/ZconsVisitor.cpp, visitors/ZconsVisitor.hpp: zconstraint
2293		method is working now
2294
2295	<	2005-01-10 18:05 tim
2295	>	2005-01-10 13:05 tim
2296
2297		* src/: constraints/ConstraintElem.hpp,
2298		constraints/ConstraintPair.hpp, constraints/ZconsStruct.hpp,
#	Line 1628 \| Line 2302
2302		visitors/ZconsVisitor.cpp, visitors/ZconsVisitor.hpp: more work in
2303		zconstraint
2304
2305	<	2005-01-10 18:05 tim
2305	>	2005-01-10 13:05 tim
2306
2307		* src/constraints/ZconsStruct.hpp: file ZconsStruct.hpp was
2308		initially added on branch new_design.
2309
2310	<	2005-01-07 21:50 tim
2310	>	2005-01-07 16:50 tim
2311
2312		* src/constraints/ZconstraintForceManager.cpp: file
2313		ZconstraintForceManager.cpp was initially added on branch
2314		new_design.
2315
2316	<	2005-01-07 21:50 tim
2316	>	2005-01-07 16:50 tim
2317
2318		* src/constraints/ZconstraintForceManager.hpp: file
2319		ZconstraintForceManager.hpp was initially added on branch
2320		new_design.
2321
2322	<	2005-01-07 21:50 tim
2322	>	2005-01-07 16:50 tim
2323
2324		* src/: applications/simpleBuilder/BaseLattice.hpp,
2325		applications/simpleBuilder/Lattice.hpp,
#	Line 1659 \| Line 2333
2333		integrators/VelocityVerletIntegrator.cpp, primitives/Molecule.hpp,
2334		utils/NumericConstant.hpp: ZConstraintForceManager in progress
2335
2336	<	2005-01-07 21:50 tim
2336	>	2005-01-07 16:50 tim
2337
2338		* src/constraints/ConstraintElem.hpp: file ConstraintElem.hpp was
2339		initially added on branch new_design.
2340
2341	<	2005-01-06 22:31 tim
2341	>	2005-01-06 17:31 tim
2342
2343		* src/: brains/MoleculeCreator.cpp, brains/MoleculeCreator.hpp,
2344		brains/SimCreator.cpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
#	Line 1673 \| Line 2347
2347		io/Globals.cpp, primitives/Molecule.cpp, primitives/Molecule.hpp:
2348		constraint is almost working
2349
2350	<	2005-01-06 00:36 tim
2350	>	2005-01-05 19:36 tim
2351
2352		* src/applications/simpleBuilder/MoLocator.cpp: simpleBuilder is
2353		working
2354
2355	<	2005-01-06 00:16 tim
2355	>	2005-01-05 19:16 tim
2356
2357		* src/: applications/dump2Xyz/Dump2XYZ.cpp,
2358		applications/oopse/oopse.cpp,
#	Line 1693 \| Line 2367
2367		minimizers/Minimizer.cpp, primitives/RigidBody.cpp: simpleBuilder
2368		in progress
2369
2370	<	2005-01-05 17:35 tim
2370	>	2005-01-05 12:35 tim
2371
2372		* src/minimizers/MinimizerFactory.hpp: file MinimizerFactory.hpp
2373		was initially added on branch new_design.
2374
2375	<	2005-01-05 17:35 tim
2375	>	2005-01-05 12:35 tim
2376
2377		* src/minimizers/Minimizer.cpp: file Minimizer.cpp was initially
2378		added on branch new_design.
2379
2380	<	2005-01-05 17:35 tim
2380	>	2005-01-05 12:35 tim
2381
2382		* src/minimizers/: CGFamilyMinimizer.cpp, CGFamilyMinimizer.hpp,
2383		Makefile, Minimizer.cpp, Minimizer.hpp, MinimizerCreator.cpp,
#	Line 1711 \| Line 2385
2385		OOPSEMinimizer.cpp, OOPSEMinimizer.hpp, SDMinimizer.cpp,
2386		SDMinimizer.hpp: minimizer in progress
2387
2388	<	2005-01-05 17:35 tim
2388	>	2005-01-05 12:35 tim
2389
2390		* src/minimizers/MinimizerFactory.cpp: file MinimizerFactory.cpp
2391		was initially added on branch new_design.
2392
2393	<	2005-01-05 17:35 tim
2393	>	2005-01-05 12:35 tim
2394
2395		* src/minimizers/MinimizerCreator.cpp: file MinimizerCreator.cpp
2396		was initially added on branch new_design.
2397
2398	<	2005-01-05 17:35 tim
2398	>	2005-01-05 12:35 tim
2399
2400		* src/minimizers/MinimizerCreator.hpp: file MinimizerCreator.hpp
2401		was initially added on branch new_design.
2402
2403	<	2005-01-05 17:35 tim
2403	>	2005-01-05 12:35 tim
2404
2405		* src/minimizers/Minimizer.hpp: file Minimizer.hpp was initially
2406		added on branch new_design.
2407
2408	<	2005-01-04 22:18 tim
2408	>	2005-01-04 17:18 tim
2409
2410		* src/: brains/ForceManager.cpp, brains/MoleculeCreator.cpp,
2411		brains/MoleculeCreator.hpp, brains/SimInfo.cpp, brains/Stats.hpp,
#	Line 1742 \| Line 2416
2416		primitives/Molecule.cpp, primitives/Molecule.hpp: constraints in
2417		progress
2418
2419	<	2005-01-04 22:18 tim
2419	>	2005-01-04 17:18 tim
2420
2421		* src/constraints/ConstraintPair.hpp: file ConstraintPair.hpp was
2422		initially added on branch new_design.
2423
2424	<	2005-01-04 22:18 tim
2424	>	2005-01-04 17:18 tim
2425
2426		* src/minimizers/MinimizerParameterSet.cpp: file
2427		MinimizerParameterSet.cpp was initially added on branch new_design.
2428
2429	<	2005-01-04 22:18 tim
2429	>	2005-01-04 17:18 tim
2430
2431		* src/minimizers/SDMinimizer.hpp: file SDMinimizer.hpp was
2432		initially added on branch new_design.
2433
2434	<	2005-01-04 22:18 tim
2434	>	2005-01-04 17:18 tim
2435
2436		* src/minimizers/CGFamilyMinimizer.hpp: file CGFamilyMinimizer.hpp
2437		was initially added on branch new_design.
2438
2439	<	2005-01-04 22:18 tim
2439	>	2005-01-04 17:18 tim
2440
2441		* src/minimizers/: CGFamilyMinimizer.cpp, CGFamilyMinimizer.hpp,
2442		Makefile, MinimizerParameterSet.cpp, MinimizerParameterSet.hpp,
2443		OOPSEMinimizer.cpp, OOPSEMinimizer.hpp, PRCG.cpp, PRCG.hpp,
2444		SDMinimizer.cpp, SDMinimizer.hpp: minimizers in progress
2445
2446	<	2005-01-04 22:18 tim
2446	>	2005-01-04 17:18 tim
2447
2448		* src/minimizers/PRCG.hpp: file PRCG.hpp was initially added on
2449		branch new_design.
2450
2451	<	2004-12-20 20:50 chuckv
2451	>	2004-12-20 15:50 chuckv
2452
2453		* make/Makefile.in: Fixed Makefile test bug under OSX and possibly
2454		other BSD's, replaced test -f *.mod with ls function since BSD test
2455		apparently doesn't support wildcards.
2456
2457	<	2004-12-20 20:36 tim
2457	>	2004-12-20 15:36 tim
2458
2459		* make/Makefile.in: fix a test command incompatiable problem
2460
2461	<	2004-12-20 19:49 tim
2461	>	2004-12-20 14:49 tim
2462
2463		* src/integrators/NPTi.cpp: NPT is working now
2464
2465	<	2004-12-16 19:20 tim
2465	>	2004-12-16 14:20 tim
2466
2467		* src/brains/SimInfo.cpp: Fix a bug in SimInfo which gives the
2468		invalid stamp id
2469
2470	<	2004-12-16 19:00 tim
2470	>	2004-12-16 14:00 tim
2471
2472		* forceFields/: newEAM.VC.frc, newEAM.frc, newEAM.u3.frc,
2473		newEAM.u6.frc: adding new EAM force field files
2474
2475	<	2004-12-16 18:55 tim
2475	>	2004-12-16 13:55 tim
2476
2477		* src/io/EAMAtomTypesSectionParser.cpp: parsing order three arrays
2478		in EAM parameter file is incorrect
2479
2480	<	2004-12-16 17:27 tim
2480	>	2004-12-16 12:27 tim
2481
2482		* src/: UseTheForce/EAM.cpp, UseTheForce/EAM.hpp,
2483		brains/SimCreator.cpp, io/EAMAtomTypesSectionParser.cpp,
2484		utils/StringTokenizer.cpp: add getMaxRcutFromAtomType into EAM
2485
2486	<	2004-12-15 22:34 tim
2486	>	2004-12-15 17:34 tim
2487
2488		* src/: applications/simpleBuilder/BaseLattice.cpp,
2489		applications/simpleBuilder/BaseLattice.hpp,
#	Line 1822 \| Line 2496
2496		applications/simpleBuilder/simpleBuilder.cpp,
2497		io/basic_ifstrstream.hpp: fix a bug in basic_ifstrstream
2498
2499	<	2004-12-15 21:07 tim
2499	>	2004-12-15 16:07 tim
2500
2501		* src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
2502		UseTheForce/EAM.cpp, UseTheForce/EAM.hpp, UseTheForce/Makefile,
2503		applications/dump2Xyz/Dump2XYZ.cpp, applications/oopse/oopse.cpp:
2504		add EAM Force Field
2505
2506	<	2004-12-15 19:40 tim
2506	>	2004-12-15 14:40 tim
2507
2508		* src/applications/oopse/oopse.cpp: add more force fields
2509
2510	<	2004-12-15 16:44 tim
2510	>	2004-12-15 11:44 tim
2511
2512		* src/brains/SimInfo.cpp: fix bugs in getCom and getComVel (forget
2513		to call All_reduce in MPI version)
2514
2515	<	2004-12-15 16:13 tim
2515	>	2004-12-15 11:13 tim
2516
2517		* src/: brains/SimCreator.cpp, brains/SimInfo.cpp,
2518		io/DumpReader.cpp: MPI in NVE is working
2519
2520	<	2004-12-14 21:57 tim
2520	>	2004-12-14 16:57 tim
2521
2522		* src/io/: DumpReader.cpp, DumpReader.hpp: fix a bug in DumpReader.
2523		Master nodes does not brocast the total number of frames
2524
2525	<	2004-12-14 19:08 tim
2525	>	2004-12-14 14:08 tim
2526
2527		* src/: brains/SimCreator.cpp, brains/SimSnapshotManager.hpp,
2528		integrators/NVE.hpp, io/DumpReader.cpp, io/DumpWriter.cpp,
#	Line 1857 \| Line 2531
2531		minimizers/OOPSEMinimizer.cpp, minimizers/OOPSEMinimizer.hpp,
2532		minimizers/SDMinimizer.cpp: more fix in MPI version
2533
2534	<	2004-12-13 22:30 tim
2534	>	2004-12-13 17:30 tim
2535
2536		* src/: UseTheForce/DarkSide/simParallel.F90,
2537		applications/oopse/oopse.cpp, brains/SimCreator.cpp,
#	Line 1875 \| Line 2549
2549		utils/PropertyMap.hpp, visitors/CompositeVisitor.cpp: MPI version
2550		is built
2551
2552	<	2004-12-10 18:41 tim
2552	>	2004-12-10 13:41 tim
2553
2554		* src/UseTheForce/WATER.cpp: fix another bug in WATER.cpp
2555
2556	<	2004-12-10 16:14 tim
2556	>	2004-12-10 11:14 tim
2557
2558		* src/: brains/ForceManager.cpp, primitives/StuntDouble.cpp,
2559		primitives/StuntDouble.hpp: forget to zero out the torque. Sticky
2560		and Dipole is working now
2561
2562	<	2004-12-09 23:15 tim
2562	>	2004-12-09 18:15 tim
2563
2564		* src/: UseTheForce/DarkSide/dipole.F90,
2565		UseTheForce/DarkSide/reactionField.F90, primitives/StuntDouble.hpp:
2566		fix an index problem in eFrame matrix
2567
2568	<	2004-12-09 23:09 tim
2568	>	2004-12-09 18:09 tim
2569
2570		* src/UseTheForce/WATER.cpp: fix a bug in WATER.cpp when
2571		initializing the new Charge AtomType
2572
2573	<	2004-12-09 21:15 tim
2573	>	2004-12-09 16:15 tim
2574
2575		* src/: UseTheForce/doForces.F90, UseTheForce/DarkSide/sticky.F90,
2576		types/DirectionalAtomType.cpp: sticky module get compiled
2577
2578	<	2004-12-09 20:43 gezelter
2578	>	2004-12-09 15:43 gezelter
2579
2580		* src/UseTheForce/DarkSide/: dipole.F90, force_globals.F90, gb.F90,
2581		reactionField.F90: u_l -> eFrame for electrostatics u_l -> A for
2582		GB
2583
2584	<	2004-12-09 20:42 gezelter
2584	>	2004-12-09 15:42 gezelter
2585
2586		* src/UseTheForce/doForces.F90: u_l -> eFrame
2587
2588	<	2004-12-09 20:27 gezelter
2588	>	2004-12-09 15:27 gezelter
2589
2590		* src/UseTheForce/DarkSide/: sticky.F90, sticky_interface.h: sticky
2591		module now has the option for multiple sticky types
2592
2593	<	2004-12-09 20:27 gezelter
2593	>	2004-12-09 15:27 gezelter
2594
2595		* src/UseTheForce/doForces.F90: sticky
2596
2597	<	2004-12-09 16:22 tim
2597	>	2004-12-09 11:22 tim
2598
2599		* src/integrators/: NPT.cpp, NVT.cpp: fix an interface
2600		inconsistency in lab2Bidy
2601
2602	<	2004-12-09 15:45 tim
2602	>	2004-12-09 10:45 tim
2603
2604		* src/: math/SquareMatrix3.hpp, primitives/RigidBody.cpp: Fix a bug
2605		in calculating torque in rigid body
2606
2607	<	2004-12-08 20:37 tim
2607	>	2004-12-08 15:37 tim
2608
2609		* src/: UseTheForce/mpiForceField.c, UseTheForce/mpiForceField.h,
2610		brains/SnapShot.cpp, brains/Snapshot.hpp,
#	Line 1938 \| Line 2612
2612		io/ElectrostaticAtomTypesSectionParser.cpp, utils/MemoryUtils.hpp:
2613		fix a parsing bug in ElectroStaticAtomTypesSectionParser
2614
2615	<	2004-12-08 17:03 tim
2615	>	2004-12-08 12:03 tim
2616
2617		* src/integrators/: NVT.cpp, VelocityVerletIntegrator.cpp: Butane
2618		in NVT is working
2619
2620	<	2004-12-07 23:08 tim
2620	>	2004-12-07 18:08 tim
2621
2622		* src/: UseTheForce/Makefile, brains/SimInfo.hpp,
2623		integrators/NPT.cpp, integrators/NPTf.cpp, integrators/NPTi.cpp,
2624		integrators/NPTxyz.cpp, integrators/NVT.cpp, integrators/NVT.hpp,
2625		io/DumpWriter.cpp: NPT in progress
2626
2627	<	2004-12-07 14:43 tim
2627	>	2004-12-07 09:43 tim
2628
2629		* test/utils/: Makefile, NextCombinationTestCase.hpp: [no log
2630		message]
2631
2632	<	2004-12-07 05:12 tim
2632	>	2004-12-07 00:12 tim
2633
2634		* src/integrators/: Integrator.cpp, NPT.cpp, NPTi.cpp: fix a bug in
2635		UseInitXSstate
2636
2637	<	2004-12-07 05:00 tim
2637	>	2004-12-07 00:00 tim
2638
2639		* src/: io/DumpReader.cpp, utils/StringTokenizer.hpp: no message
2640
2641	<	2004-12-07 04:47 tim
2641	>	2004-12-06 23:47 tim
2642
2643		* src/types/DirectionalAtomType.cpp: [no log message]
2644
2645	<	2004-12-07 02:18 tim
2645	>	2004-12-06 21:18 tim
2646
2647		* forceFields/newDUFF.frc: merge WATER force field into DUFF
2648
2649	<	2004-12-07 01:33 tim
2649	>	2004-12-06 20:33 tim
2650
2651		* forceFields/newDUFF.frc: change the force constant of bonds
2652
2653	<	2004-12-06 23:29 tim
2653	>	2004-12-06 18:29 tim
2654
2655		* src/: UseTheForce/DarkSide/charge.F90,
2656		UseTheForce/DarkSide/charge_interface.h,
#	Line 1984 \| Line 2658
2658		UseTheForce/DarkSide/dipole_interface.h, primitives/Torsion.cpp:
2659		fix atom type ident in Charge and Dipole Module
2660
2661	<	2004-12-06 22:56 tim
2661	>	2004-12-06 17:56 tim
2662
2663		* src/primitives/Torsion.cpp: butane is working now
2664
2665	<	2004-12-06 20:15 tim
2665	>	2004-12-06 15:15 tim
2666
2667		* src/: brains/MoleculeCreator.cpp, primitives/Bend.cpp,
2668		primitives/Bond.hpp, primitives/Torsion.cpp: short range
2669		interaction for butane is correct.Still something wrong with long
2670		range one
2671
2672	<	2004-12-06 04:49 tim
2672	>	2004-12-05 23:49 tim
2673
2674		* src/: brains/Exclude.cpp, brains/Exclude.hpp,
2675		brains/SimCreator.cpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
#	Line 2003 \| Line 2677
2677		primitives/Atom.hpp, utils/NumericConstant.hpp,
2678		utils/TypeContainer.hpp: fix a bug in Exclude List
2679
2680	<	2004-12-05 22:21 tim
2680	>	2004-12-05 17:21 tim
2681
2682		* forceFields/newDUFF.frc: minor fix in DUFF
2683
2684	<	2004-12-05 22:02 tim
2684	>	2004-12-05 17:02 tim
2685
2686		* src/: brains/SimInfo.cpp, brains/Thermo.cpp, math/Vector.hpp,
2687		utils/StringTokenizer.cpp, utils/Utility.cpp, utils/Utility.hpp:
2688		fix a bug in filling MolMembership
2689
2690	<	2004-12-05 17:12 tim
2690	>	2004-12-05 12:12 tim
2691
2692		* forceFields/newDUFF.frc: minor fix in force field file
2693
2694	<	2004-12-05 17:09 tim
2694	>	2004-12-05 12:09 tim
2695
2696		* src/: applications/oopse/oopse.cpp, integrators/Integrator.cpp,
2697		integrators/NPTxyz.cpp, integrators/NVT.cpp: add Integrator.cpp
2698
2699	<	2004-12-04 20:09 tim
2699	>	2004-12-04 15:09 tim
2700
2701		* src/: UseTheForce/DarkSide/LJ.F90, math/Polynomial.hpp,
2702		math/Vector3.hpp: NVE is working now, get the same result as
2703		OOPSE-1.0
2704
2705	<	2004-12-04 19:29 tim
2705	>	2004-12-04 14:29 tim
2706
2707		* src/primitives/: Bend.cpp, Torsion.cpp: rewind to old copy
2708
2709	<	2004-12-04 19:24 gezelter
2709	>	2004-12-04 14:24 gezelter
2710
2711		* src/primitives/: Bend.cpp, Torsion.cpp: What?
2712
2713	<	2004-12-04 19:24 gezelter
2713	>	2004-12-04 14:24 gezelter
2714
2715		* src/UseTheForce/DarkSide/LJ.F90: atid / c_ident confusion
2716
2717	<	2004-12-04 05:24 tim
2717	>	2004-12-04 00:24 tim
2718
2719		* src/: UseTheForce/ForceField.cpp, brains/Thermo.cpp,
2720		integrators/Integrator.hpp,
#	Line 2051 \| Line 2725
2725		dipole, sticky Step 3 Butane in NVE to test Bond Bend Torsion Step
2726		4 EAM Step 5 Shape Step 6 Constraint & Restraint
2727
2728	<	2004-12-04 00:01 tim
2728	>	2004-12-03 19:01 tim
2729
2730		* src/: UseTheForce/DarkSide/LJ.F90,
2731		applications/dump2Xyz/Dump2XYZ.cpp, brains/DataStorage.cpp,
#	Line 2060 \| Line 2734
2734		io/StatWriter.hpp, primitives/Atom.cpp: Dump2Xyz is also working,
2735		energy of NVE is not conserved
2736
2737	<	2004-12-03 22:36 tim
2737	>	2004-12-03 17:36 tim
2738
2739		* src/: brains/DataStorage.hpp, brains/Snapshot.hpp,
2740		primitives/Molecule.cpp, primitives/StuntDouble.hpp: NVE is running
2741
2742	<	2004-12-03 21:30 tim
2742	>	2004-12-03 16:30 tim
2743
2744		* src/: applications/oopse/oopse.cpp, brains/SimInfo.cpp,
2745		brains/SimInfo.hpp, brains/Thermo.hpp, integrators/Makefile,
#	Line 2073 \| Line 2747
2747		primitives/Molecule.hpp, primitives/StuntDouble.hpp,
2748		primitives/Torsion.hpp: more missing function get implemented
2749
2750	<	2004-12-03 20:30 tim
2750	>	2004-12-03 15:30 tim
2751
2752		* src/brains/: MoleculeCreator.cpp, SimCreator.cpp, SimCreator.hpp,
2753		SimInfo.cpp, SimInfo.hpp: Change interface of SimInfo
2754
2755	<	2004-12-03 17:59 tim
2755	>	2004-12-03 12:59 tim
2756
2757		* src/: applications/oopse/oopse.cpp, brains/SimCreator.cpp,
2758		brains/SimCreator.hpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
#	Line 2087 \| Line 2761
2761		io/SectionParserManager.cpp, utils/LocalIndexManager.hpp,
2762		utils/TypeContainer.hpp: begin to fix bugs
2763
2764	<	2004-12-03 00:26 tim
2764	>	2004-12-02 19:26 tim
2765
2766		* src/utils/Trim.cpp: file Trim.cpp was initially added on branch
2767		new_design.
2768
2769	<	2004-12-03 00:26 tim
2769	>	2004-12-02 19:26 tim
2770
2771		* src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
2772		UseTheForce/ForceFieldCreator.cpp,
#	Line 2103 \| Line 2777
2777		utils/StringTokenizer.cpp, utils/Trim.cpp, utils/Trim.hpp: Fixed a
2778		bug in countTokens in StringTokenizer
2779
2780	<	2004-12-03 00:06 tim
2780	>	2004-12-02 19:06 tim
2781
2782		* forceFields/newDUFF.frc: minor fix
2783
2784	<	2004-12-02 23:15 tim
2784	>	2004-12-02 18:15 tim
2785
2786		* forceFields/newDUFF.frc: new ForceField format
2787
2788	<	2004-12-02 22:15 tim
2788	>	2004-12-02 17:15 tim
2789
2790		* src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
2791		UseTheForce/ForceFieldCreator.cpp,
#	Line 2130 \| Line 2804
2804		types/Makefile: refine factory pattern to make it initialized
2805		correctly
2806
2807	<	2004-12-02 22:15 tim
2807	>	2004-12-02 17:15 tim
2808
2809		* src/UseTheForce/ForceFieldCreator.hpp: file ForceFieldCreator.hpp
2810		was initially added on branch new_design.
2811
2812	<	2004-12-02 22:15 tim
2812	>	2004-12-02 17:15 tim
2813
2814		* src/UseTheForce/ForceFieldCreator.cpp: file ForceFieldCreator.cpp
2815		was initially added on branch new_design.
2816
2817	<	2004-12-02 22:15 tim
2817	>	2004-12-02 17:15 tim
2818
2819		* src/integrators/IntegratorCreator.cpp: file IntegratorCreator.cpp
2820		was initially added on branch new_design.
2821
2822	<	2004-12-02 22:15 tim
2822	>	2004-12-02 17:15 tim
2823
2824		* src/integrators/IntegratorCreator.hpp: file IntegratorCreator.hpp
2825		was initially added on branch new_design.
2826
2827	<	2004-12-02 16:53 tim
2827	>	2004-12-02 11:53 tim
2828
2829		* src/: applications/dump2Xyz/Dump2XYZ.cpp, brains/Stats.cpp,
2830		types/DirectionalAtomType.cpp, types/Makefile: oopse get built
2831
2832	<	2004-12-02 16:04 tim
2832	>	2004-12-02 11:04 tim
2833
2834		* src/: applications/simpleBuilder/LatticeCreator.cpp,
2835		applications/simpleBuilder/LatticeCreator.hpp,
#	Line 2179 \| Line 2853
2853		visitors/RigidBodyVisitor.hpp, visitors/ZconsVisitor.cpp: still
2854		have two linking problem
2855
2856	<	2004-12-02 05:17 tim
2856	>	2004-12-02 00:17 tim
2857
2858		* src/: applications/dump2Xyz/Dump2XYZ.cpp,
2859		applications/simpleBuilder/Lattice.cpp,
#	Line 2191 \| Line 2865
2865		visitors/OtherVisitor.cpp, visitors/RigidBodyVisitor.cpp,
2866		visitors/ZconsVisitor.cpp: change endl to std::endl
2867
2868	<	2004-12-02 05:14 tim
2868	>	2004-12-02 00:14 tim
2869
2870		* src/: UseTheForce/Shapes_FF.cpp,
2871		applications/dump2Xyz/Dump2XYZ.cpp,
#	Line 2207 \| Line 2881
2881		visitors/CompositeVisitor.hpp, visitors/RigidBodyVisitor.cpp,
2882		visitors/RigidBodyVisitor.hpp: minor fix
2883
2884	<	2004-12-02 05:09 tim
2884	>	2004-12-02 00:09 tim
2885
2886		* src/utils/: Makefile, StreamTokenizer.cpp, StreamTokenizer.hpp:
2887		remove StreamTokenizer
2888
2889	<	2004-12-02 05:06 tim
2889	>	2004-12-02 00:06 tim
2890
2891		* src/: UseTheForce/Shapes_FF.cpp,
2892		applications/dump2Xyz/Dump2XYZ.cpp, applications/oopse/oopse.cpp,
#	Line 2221 \| Line 2895
2895		restraints/Restraints.cpp, utils/StreamTokenizer.cpp: remove using
2896		namespace std in .cpp file
2897
2898	<	2004-12-02 05:04 tim
2898	>	2004-12-02 00:04 tim
2899
2900		* src/: UseTheForce/Shapes_FF.cpp,
2901		applications/dump2Xyz/Dump2XYZ.cpp,
#	Line 2245 \| Line 2919
2919		visitors/RigidBodyVisitor.hpp, visitors/ZconsVisitor.cpp: adding
2920		qulified name prefix std
2921
2922	<	2004-12-02 04:55 tim
2922	>	2004-12-01 23:55 tim
2923
2924		* src/: UseTheForce/Shapes_FF.cpp,
2925		applications/dump2Xyz/Dump2XYZ.cpp,
#	Line 2261 \| Line 2935
2935		visitors/CompositeVisitor.hpp, visitors/RigidBodyVisitor.cpp,
2936		visitors/RigidBodyVisitor.hpp: replace string by std::string
2937
2938	<	2004-12-02 03:12 tim
2938	>	2004-12-01 22:12 tim
2939
2940		* make/Makefile.in, src/UseTheForce/ForceFieldFactory.hpp,
2941		src/applications/simpleBuilder/BaseLattice.hpp,
#	Line 2282 \| Line 2956
2956		test/brains/RigidBody.cpp: replace misuse of using namespace std in
2957		header files
2958
2959	<	2004-12-02 02:23 tim
2959	>	2004-12-01 21:23 tim
2960
2961		* src/: primitives/Atom.hpp, primitives/RigidBody.hpp,
2962		primitives/StuntDouble.hpp, utils/TypeContainer.hpp,
2963		utils/Utility.cpp, utils/Utility.hpp, utils/next_combination.hpp:
2964		begin to fix linking problem
2965
2966	<	2004-12-02 02:08 tim
2966	>	2004-12-01 21:08 tim
2967
2968		* src/: applications/oopse/oopse.cpp, brains/Stats.cpp,
2969		brains/Thermo.cpp, brains/Thermo.hpp, integrators/Makefile,
#	Line 2301 \| Line 2975
2975		utils/OOPSEConstant.hpp, utils/StringUtils.cpp: oopse get compiled,
2976		still has some linking problem
2977
2978	<	2004-12-02 00:26 tim
2978	>	2004-12-01 19:26 tim
2979
2980		* src/: integrators/NVT.cpp, integrators/NVT.hpp,
2981		utils/OOPSEConstant.hpp: NVT get built
2982
2983	<	2004-12-02 00:09 tim
2983	>	2004-12-01 19:09 tim
2984
2985		* src/integrators/DLM.cpp: file DLM.cpp was initially added on
2986		branch new_design.
2987
2988	<	2004-12-02 00:09 tim
2988	>	2004-12-01 19:09 tim
2989
2990		* src/integrators/DLM.hpp: file DLM.hpp was initially added on
2991		branch new_design.
2992
2993	<	2004-12-02 00:09 tim
2993	>	2004-12-01 19:09 tim
2994
2995		* src/: brains/SimSnapshotManager.cpp, brains/Snapshot.hpp,
2996		brains/Stats.cpp, brains/Stats.hpp, brains/Thermo.cpp,
#	Line 2328 \| Line 3002
3002		integrators/VelocityVerletIntegrator.hpp, io/DumpWriter.hpp: NVE
3003		get built
3004
3005	<	2004-12-02 00:09 tim
3005	>	2004-12-01 19:09 tim
3006
3007		* src/integrators/RotationAlgorithm.hpp: file RotationAlgorithm.hpp
3008		was initially added on branch new_design.
3009
3010	<	2004-12-01 22:45 tim
3010	>	2004-12-01 17:45 tim
3011
3012		* src/: UseTheForce/DarkSide/atype.F90, integrators/Integrator.hpp,
3013		integrators/IntegratorFactory.cpp,
#	Line 2344 \| Line 3018
3018		io/DumpWriter.cpp, io/DumpWriter.hpp, io/StatWriter.cpp,
3019		io/StatWriter.hpp: rename DumpWrite to DumpWriter
3020
3021	<	2004-12-01 22:45 tim
3021	>	2004-12-01 17:45 tim
3022
3023		* src/io/DumpWriter.hpp: file DumpWriter.hpp was initially added on
3024		branch new_design.
3025
3026	<	2004-12-01 20:05 tim
3026	>	2004-12-01 15:05 tim
3027
3028		* src/: io/Makefile, io/ZConsReader.cpp, io/ZConsReader.hpp,
3029		io/ZConsWriter.hpp, math/Vector3.hpp, utils/Makefile,
#	Line 2358 \| Line 3032
3032		visitors/OtherVisitor.hpp, visitors/ZconsVisitor.cpp,
3033		visitors/ZconsVisitor.hpp: visitors get built
3034
3035	<	2004-12-01 19:32 chrisfen
3035	>	2004-12-01 14:32 chrisfen
3036
3037		* samples/water/tip3p_ice/tp3.md: fixed a sample
3038
3039	<	2004-12-01 19:10 tim
3039	>	2004-12-01 14:10 tim
3040
3041		* src/math/RectMatrix.hpp, src/primitives/DirectionalAtom.cpp,
3042		src/primitives/DirectionalAtom.hpp, src/primitives/GhostBend.cpp,
#	Line 2371 \| Line 3045
3045		src/visitors/AtomVisitor.hpp, test/math/RectMatrixTestCase.cpp:
3046		spell check
3047
3048	<	2004-12-01 18:42 tim
3048	>	2004-12-01 13:42 tim
3049
3050		* src/: UseTheForce/DarkSide/atype.F90,
3051		io/ElectrostaticAtomTypesSectionParser.cpp,
#	Line 2380 \| Line 3054
3054		primitives/StuntDouble.hpp, types/AtomType.cpp: except integrator
3055		and constraint, other directories get built
3056
3057	<	2004-12-01 17:38 tim
3057	>	2004-12-01 12:38 tim
3058
3059		* src/: brains/DataStorage.cpp, brains/DataStorage.hpp,
3060		brains/ForceManager.cpp, brains/MoleculeCreator.cpp,
#	Line 2393 \| Line 3067
3067		types/DirectionalAtomType.cpp, types/DirectionalAtomType.hpp:
3068		refactory AtomType
3069
3070	<	2004-12-01 03:11 tim
3070	>	2004-11-30 22:11 tim
3071
3072		* src/: math/Vector.hpp, primitives/RigidBody.cpp: minor change
3073
3074	<	2004-12-01 02:30 tim
3074	>	2004-11-30 21:30 tim
3075
3076		* src/utils/: NumericConstant.cpp, NumericConstant.hpp: Change
3077		NumericConstant
3078
3079	<	2004-12-01 02:24 tim
3079	>	2004-11-30 21:24 tim
3080
3081		* src/: UseTheForce/ForceField.cpp, io/SectionParser.cpp,
3082		primitives/RigidBody.cpp: minor fix
3083
3084	<	2004-11-30 23:14 tim
3084	>	2004-11-30 18:14 tim
3085
3086		* src/: brains/Stats.hpp, io/DumpReader.cpp, io/DumpReader.hpp,
3087		io/DumpWrite.hpp, io/DumpWriter.cpp, io/Makefile,
3088		io/StatWriter.cpp, io/StatWriter.hpp, utils/StringTokenizer.hpp: io
3089		get built, next is integrator
3090
3091	<	2004-11-30 22:43 tim
3091	>	2004-11-30 17:43 tim
3092
3093		* src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
3094		UseTheForce/ForceField.hpp, brains/SimCreator.cpp,
#	Line 2422 \| Line 3096
3096		io/BASS_interface.cpp, primitives/StuntDouble.hpp,
3097		utils/StringUtils.hpp: brains get built
3098
3099	<	2004-11-30 20:50 tim
3099	>	2004-11-30 15:50 tim
3100
3101		* src/: brains/ForceManager.cpp, brains/Makefile,
3102		brains/MoleculeCreator.cpp, brains/MoleculeCreator.hpp,
3103		primitives/RigidBody.cpp, primitives/RigidBody.hpp,
3104		utils/StringUtils.hpp: brains get built, io is next
3105
3106	<	2004-11-30 19:58 tim
3106	>	2004-11-30 14:58 tim
3107
3108		* src/: brains/Exclude.cpp, brains/Exclude.hpp,
3109		brains/ForceManager.cpp, brains/ForceManager.hpp,
#	Line 2440 \| Line 3114
3114		brains/Thermo.cpp, brains/Thermo.hpp, io/Makefile,
3115		math/SquareMatrix3.hpp, utils/OOPSEConstant.hpp: fix Thermo
3116
3117	<	2004-11-30 19:58 tim
3117	>	2004-11-30 14:58 tim
3118
3119		* src/utils/OOPSEConstant.hpp: file OOPSEConstant.hpp was initially
3120		added on branch new_design.
3121
3122	<	2004-11-30 17:54 tim
3122	>	2004-11-30 12:54 tim
3123
3124		* src/: primitives/Bend.hpp, primitives/Bond.hpp,
3125		primitives/StuntDouble.hpp, primitives/Torsion.hpp,
3126		utils/LocalIndexManager.hpp: more get fixed
3127
3128	<	2004-11-30 05:03 tim
3128	>	2004-11-30 00:03 tim
3129
3130		* src/utils/LocalIndexManager.hpp: file LocalIndexManager.hpp was
3131		initially added on branch new_design.
3132
3133	<	2004-11-30 05:03 tim
3133	>	2004-11-30 00:03 tim
3134
3135		* src/utils/: LocalIndexManager.hpp, LocalndexManager.hpp: rename
3136		LocalndexManager.hpp to LocalIndexManager.hpp
3137
3138	<	2004-11-30 04:43 tim
3138	>	2004-11-29 23:43 tim
3139
3140		* src/: io/BendTypesSectionParser.cpp,
3141		io/BendTypesSectionParser.hpp, io/BondTypesSectionParser.cpp,
#	Line 2470 \| Line 3144
3144		types/PolynomialBendType.hpp, types/PolynomialBondType.hpp,
3145		types/PolynomialTorsionType.hpp: Section Parsers get compiled
3146
3147	<	2004-11-30 04:14 tim
3147	>	2004-11-29 23:14 tim
3148
3149		* src/: io/BendTypesSectionParser.cpp,
3150		io/BendTypesSectionParser.hpp, io/BondTypesSectionParser.cpp,
#	Line 2478 \| Line 3152
3152		types/PolynomialBendType.hpp, types/PolynomialBondType.hpp: minor
3153		fixed
3154
3155	<	2004-11-30 03:49 tim
3155	>	2004-11-29 22:49 tim
3156
3157		* src/: io/TorsionTypesSectionParser.cpp,
3158		io/TorsionTypesSectionParser.hpp, types/CharmmTorsionType.hpp,
#	Line 2486 \| Line 3160
3160		types/PolynomialBondType.hpp, types/PolynomialTorsionType.hpp,
3161		types/QuarticTorsionType.hpp: minor fixed
3162
3163	<	2004-11-30 03:32 tim
3163	>	2004-11-29 22:32 tim
3164
3165		* src/: io/TorsionTypesSectionParser.cpp,
3166		types/PolynomialBendType.hpp, types/PolynomialBondType.hpp,
3167		types/PolynomialTorsionType.hpp: #inlcude statement can not be
3168		embedded
3169
3170	<	2004-11-29 21:42 tim
3170	>	2004-11-29 16:42 tim
3171
3172		* test/math/: Makefile, PolynomialTestCase.cpp,
3173		PolynomialTestCase.hpp: add PolynomialTestCase
3174
3175	<	2004-11-29 21:42 tim
3175	>	2004-11-29 16:42 tim
3176
3177		* src/math/Polynomial.hpp: Polynomial passes unit test
3178
3179	<	2004-11-29 20:03 tim
3179	>	2004-11-29 15:03 tim
3180
3181		* src/types/: QuarticTorsion.hpp, QuarticTorsionType.hpp: rename
3182		QuarticTorsion.hpp to QuarticTorsionType.hpp
3183
3184	<	2004-11-29 20:03 tim
3184	>	2004-11-29 15:03 tim
3185
3186		* src/types/QuarticTorsionType.hpp: file QuarticTorsionType.hpp was
3187		initially added on branch new_design.
3188
3189	<	2004-11-29 19:56 tim
3189	>	2004-11-29 14:56 tim
3190
3191		* src/types/CubicTorsionType.hpp: file CubicTorsionType.hpp was
3192		initially added on branch new_design.
3193
3194	<	2004-11-29 19:56 tim
3194	>	2004-11-29 14:56 tim
3195
3196		* src/types/: CubicTorsionType.hpp, QuarticTorsion.hpp: add
3197		CubicTorsionType and QuarticTorsionType
3198
3199	<	2004-11-29 19:56 tim
3199	>	2004-11-29 14:56 tim
3200
3201		* src/types/QuarticTorsion.hpp: file QuarticTorsion.hpp was
3202		initially added on branch new_design.
3203
3204	<	2004-11-29 18:00 tim
3204	>	2004-11-29 13:00 tim
3205
3206		* src/: brains/DataStorage.hpp, brains/Snapshot.hpp,
3207		types/CubicBendType.hpp, types/CubicBondType.hpp,
3208		types/QuarticBendType.hpp, types/QuarticBondType.hpp: more file get
3209		fixed
3210
3211	<	2004-11-29 17:59 tim
3211	>	2004-11-29 12:59 tim
3212
3213		* src/utils/Trim.hpp: file Trim.hpp was initially added on branch
3214		new_design.
3215
3216	<	2004-11-29 17:59 tim
3216	>	2004-11-29 12:59 tim
3217
3218		* src/utils/: StringUtils.cpp, StringUtils.hpp, Trim.hpp: add Trim
3219		Algorithm for std::string
3220
3221	<	2004-11-29 15:52 tim
3221	>	2004-11-29 10:52 tim
3222
3223		* src/UseTheForce/: EAM.cpp, EAM.hpp, LJFF.cpp, LJFF.hpp: remove
3224		some useless files
3225
3226	<	2004-11-29 15:50 tim
3226	>	2004-11-29 10:50 tim
3227
3228		* src/io/: BondTypesSectionParser.cpp,
3229		ChargeAtomTypesSectionParser.cpp, DipoleAtomTypesSectionParser.cpp,
#	Line 2560 \| Line 3234
3234		SectionParserManager.cpp, StickyAtomTypesSectionParser.cpp,
3235		StickyAtomTypesSectionParser.hpp: more files get fixed
3236
3237	<	2004-11-29 15:27 tim
3237	>	2004-11-29 10:27 tim
3238
3239		* src/io/: AtomTypesSectionParser.cpp, BendTypesSectionParser.cpp,
3240		DirectionalAtomTypesSectionParser.cpp,
#	Line 2569 \| Line 3243
3243		SectionParserManager.cpp, SectionParserManager.hpp: part of io get
3244		built
3245
3246	<	2004-11-29 14:49 tim
3246	>	2004-11-29 09:49 tim
3247
3248		* src/types/UreyBradleyBendType.hpp: types get built
3249
3250	<	2004-11-29 14:40 tim
3250	>	2004-11-29 09:40 tim
3251
3252		* src/types/: AtomType.cpp, AtomType.hpp, DirectionalAtomType.cpp:
3253		types get built
3254
3255	<	2004-11-26 02:13 tim
3255	>	2004-11-25 21:13 tim
3256
3257		* src/: UseTheForce/ForceField.hpp,
3258		io/DirectionalAtomTypesSectionParser.cpp, math/Polynomial.hpp,
3259		types/CubicBendType.hpp, types/PolynomialBendType.hpp: rename some
3260		files
3261
3262	<	2004-11-25 20:18 tim
3262	>	2004-11-25 15:18 tim
3263
3264		* src/types/QuarticBondType.hpp: file QuarticBondType.hpp was
3265		initially added on branch new_design.
3266
3267	<	2004-11-25 20:18 tim
3267	>	2004-11-25 15:18 tim
3268
3269		* src/: io/AtomTypesSectionParser.cpp,
3270		io/BondTypesSectionParser.cpp,
#	Line 2599 \| Line 3273
3273		types/QuarticBendType.hpp, types/QuarticBondType.hpp: rename some
3274		files
3275
3276	<	2004-11-25 20:18 tim
3276	>	2004-11-25 15:18 tim
3277
3278		* src/types/QuarticBendType.hpp: file QuarticBendType.hpp was
3279		initially added on branch new_design.
3280
3281	<	2004-11-24 22:12 tim
3281	>	2004-11-24 17:12 tim
3282
3283		* src/: io/AtomTypesSectionParser.cpp,
3284		io/AtomTypesSectionParser.hpp, io/BendTypesSectionParser.cpp,
#	Line 2627 \| Line 3301
3301		io/TorsionTypesSectionParser.cpp, io/TorsionTypesSectionParser.hpp,
3302		utils/LocalndexManager.hpp, utils/TypeContainer.hpp: more get built
3303
3304	<	2004-11-24 21:33 tim
3304	>	2004-11-24 16:33 tim
3305
3306		* src/UseTheForce/: DUFF.cpp, DUFF.hpp, EAM.cpp, ForceField.cpp,
3307		ForceField.hpp, ForceFieldFactory.cpp, ForceFieldFactory.hpp,
3308		LJFF.cpp, Makefile: UseTheForce get built
3309
3310	<	2004-11-24 20:55 tim
3310	>	2004-11-24 15:55 tim
3311
3312		* src/: math/RectMatrix.hpp, primitives/Bend.cpp,
3313		primitives/Bend.hpp, primitives/Bond.hpp, primitives/GhostBend.cpp,
#	Line 2643 \| Line 3317
3317		primitives/Torsion.hpp, primitives/UreyBradleyBend.cpp,
3318		primitives/UreyBradleyBend.hpp: types and primitives get built
3319
3320	<	2004-11-24 19:49 tim
3320	>	2004-11-24 14:49 tim
3321
3322		* test/utils/: Makefile, NextCombinationTestCase.cpp,
3323		StringTokenizerTestCase.cpp, StringTokenizerTestCase.hpp: Addint
3324		StringTokenizerTestCase
3325
3326	<	2004-11-24 19:49 tim
3326	>	2004-11-24 14:49 tim
3327
3328		* src/utils/: GenericData.hpp, StringTokenizer.cpp,
3329		StringTokenizer.hpp: StringTokenizer passes unit test
3330
3331	<	2004-11-24 18:20 tim
3331	>	2004-11-24 13:20 tim
3332
3333		* ChangeLog, make/Makefile.in, src/UseTheForce/Makefile,
3334		src/io/Makefile, src/primitives/Makefile, src/utils/Makefile:
3335		change Makefile
3336
3337	<	2004-11-24 18:06 chrisfen
3337	>	2004-11-24 13:06 chrisfen
3338
3339		* src/io/RestraintReader.cpp: improved restraints - mpi should work
3340		fine
3341
3342	<	2004-11-24 18:06 chrisfen
3342	>	2004-11-24 13:06 chrisfen
3343
3344		* src/integrators/Integrator.cpp: improved restraints
3345
3346	<	2004-11-24 18:05 chrisfen
3346	>	2004-11-24 13:05 chrisfen
3347
3348		* samples/water/tip3p_ice/tp3.md: oops...
3349
3350	<	2004-11-24 17:42 tim
3350	>	2004-11-24 12:42 tim
3351
3352		* src/: applications/oopse/oopse.cpp, brains/DataStorage.cpp,
3353		brains/DataStorage.hpp, brains/SimCreator.cpp,
#	Line 2682 \| Line 3356
3356		primitives/DirectionalAtom.cpp: add SetForceManager method to
3357		integrator
3358
3359	<	2004-11-23 23:12 tim
3359	>	2004-11-23 18:12 tim
3360
3361		* src/: brains/MoleculeCreator.cpp, integrators/Integrator.hpp,
3362		integrators/NPT.cpp, integrators/NPT.hpp, integrators/NPTf.cpp,
#	Line 2694 \| Line 3368
3368		integrators/VelocityVerletIntegrator.hpp,
3369		types/UreyBradleyBendType.hpp: refactory NPT integrator
3370
3371	<	2004-11-23 22:50 chrisfen
3371	>	2004-11-23 17:50 chrisfen
3372
3373		* samples/water/tip3p_ice/tp3.md: Back to normal... Oh...
3374		Restraints should work in parallel now
3375
3376	<	2004-11-23 22:48 chrisfen
3376	>	2004-11-23 17:48 chrisfen
3377
3378		* src/: UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
3379		brains/ForceFields.cpp, brains/SimInfo.hpp, brains/SimSetup.cpp,
#	Line 2709 \| Line 3383
3383		restraints/Restraints.cpp, restraints/Restraints.hpp: Improvements
3384		to restraints
3385
3386	<	2004-11-23 22:47 chrisfen
3386	>	2004-11-23 17:47 chrisfen
3387
3388		* samples/water/tip3p_ice/tp3.md: just some testing changes, I'll
3389		return to the original on next commit
3390
3391	<	2004-11-23 17:53 tim
3391	>	2004-11-23 12:53 tim
3392
3393		* src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
3394		UseTheForce/ForceField.cpp, UseTheForce/ForceField.hpp,
#	Line 2727 \| Line 3401
3401		io/SectionParser.hpp, types/DirectionalAtomType.cpp,
3402		utils/TypeContainer.hpp: add Electrostatic AtomType Section Parser
3403
3404	<	2004-11-23 17:53 tim
3404	>	2004-11-23 12:53 tim
3405
3406		* src/io/ElectrostaticAtomTypesSectionParser.hpp: file
3407		ElectrostaticAtomTypesSectionParser.hpp was initially added on
3408		branch new_design.
3409
3410	<	2004-11-23 17:53 tim
3410	>	2004-11-23 12:53 tim
3411
3412		* src/io/ElectrostaticAtomTypesSectionParser.cpp: file
3413		ElectrostaticAtomTypesSectionParser.cpp was initially added on
3414		branch new_design.
3415
3416	<	2004-11-23 06:03 tim
3416	>	2004-11-23 01:03 tim
3417
3418		* src/: io/EAMAtomTypesSectionParser.cpp,
3419		io/EAMAtomTypesSectionParser.hpp, types/AtomType.cpp,
3420		types/AtomType.hpp, types/DirectionalAtomType.cpp,
3421		types/DirectionalAtomType.hpp: add EAM AtomType Section Parser
3422
3423	<	2004-11-23 06:03 tim
3423	>	2004-11-23 01:03 tim
3424
3425		* src/types/DirectionalAtomType.cpp: file DirectionalAtomType.cpp
3426		was initially added on branch new_design.
3427
3428	<	2004-11-23 06:03 tim
3428	>	2004-11-23 01:03 tim
3429
3430		* src/io/EAMAtomTypesSectionParser.hpp: file
3431		EAMAtomTypesSectionParser.hpp was initially added on branch
3432		new_design.
3433
3434	<	2004-11-23 06:03 tim
3434	>	2004-11-23 01:03 tim
3435
3436		* src/io/EAMAtomTypesSectionParser.cpp: file
3437		EAMAtomTypesSectionParser.cpp was initially added on branch
3438		new_design.
3439
3440	<	2004-11-23 04:35 tim
3440	>	2004-11-22 23:35 tim
3441
3442		* src/io/TorsionTypesSectionParser.hpp: file
3443		TorsionTypesSectionParser.hpp was initially added on branch
3444		new_design.
3445
3446	<	2004-11-23 04:35 tim
3446	>	2004-11-22 23:35 tim
3447
3448		* src/io/BendTypesSectionParser.hpp: file
3449		BendTypesSectionParser.hpp was initially added on branch
3450		new_design.
3451
3452	<	2004-11-23 04:35 tim
3452	>	2004-11-22 23:35 tim
3453
3454		* src/io/BondTypesSectionParser.hpp: file
3455		BondTypesSectionParser.hpp was initially added on branch
3456		new_design.
3457
3458	<	2004-11-23 04:35 tim
3458	>	2004-11-22 23:35 tim
3459
3460		* src/io/BondTypesSectionParser.cpp: file
3461		BondTypesSectionParser.cpp was initially added on branch
3462		new_design.
3463
3464	<	2004-11-23 04:35 tim
3464	>	2004-11-22 23:35 tim
3465
3466		* src/io/TorsionTypesSectionParser.cpp: file
3467		TorsionTypesSectionParser.cpp was initially added on branch
3468		new_design.
3469
3470	<	2004-11-23 04:35 tim
3470	>	2004-11-22 23:35 tim
3471
3472		* src/io/: BendTypesSectionParser.cpp, BendTypesSectionParser.hpp,
3473		BondTypesSectionParser.cpp, BondTypesSectionParser.hpp,
#	Line 2801 \| Line 3475
3475		BondTypesSectionParser, BendTypesSectionParser and
3476		TorsionTypeSectionParser
3477
3478	<	2004-11-23 04:35 tim
3478	>	2004-11-22 23:35 tim
3479
3480		* src/io/BendTypesSectionParser.cpp: file
3481		BendTypesSectionParser.cpp was initially added on branch
3482		new_design.
3483
3484	<	2004-11-22 23:04 tim
3484	>	2004-11-22 18:04 tim
3485
3486		* src/UseTheForce/: DUFF.cpp, EAM.cpp, EAM.hpp: minor change in
3487		DUFF and EAM
3488
3489	<	2004-11-22 23:02 tim
3489	>	2004-11-22 18:02 tim
3490
3491		* src/io/: DirectionalAtomTypesParser.hpp,
3492		DirectionalAtomTypesSectionParser.hpp: adding section parsers
3493
3494	<	2004-11-22 23:02 tim
3494	>	2004-11-22 18:02 tim
3495
3496		* src/io/DirectionalAtomTypesSectionParser.hpp: file
3497		DirectionalAtomTypesSectionParser.hpp was initially added on branch
3498		new_design.
3499
3500	<	2004-11-22 20:55 tim
3500	>	2004-11-22 15:55 tim
3501
3502		* src/io/DipoleAtomTypesSectionParser.hpp: file
3503		DipoleAtomTypesSectionParser.hpp was initially added on branch
3504		new_design.
3505
3506	<	2004-11-22 20:55 tim
3506	>	2004-11-22 15:55 tim
3507
3508		* src/io/AtomTypesSectionParser.hpp: file
3509		AtomTypesSectionParser.hpp was initially added on branch
3510		new_design.
3511
3512	<	2004-11-22 20:55 tim
3512	>	2004-11-22 15:55 tim
3513
3514		* src/io/HarmonicBondTypesSectionParser.hpp: file
3515		HarmonicBondTypesSectionParser.hpp was initially added on branch
3516		new_design.
3517
3518	<	2004-11-22 20:55 tim
3518	>	2004-11-22 15:55 tim
3519
3520		* src/io/StickyAtomTypesSectionParser.cpp: file
3521		StickyAtomTypesSectionParser.cpp was initially added on branch
3522		new_design.
3523
3524	<	2004-11-22 20:55 tim
3524	>	2004-11-22 15:55 tim
3525
3526		* src/io/LennardJonesAtomTypesSectionParser.hpp: file
3527		LennardJonesAtomTypesSectionParser.hpp was initially added on
3528		branch new_design.
3529
3530	<	2004-11-22 20:55 tim
3530	>	2004-11-22 15:55 tim
3531
3532		* src/io/HarmonicBondTypesSectionParser.cpp: file
3533		HarmonicBondTypesSectionParser.cpp was initially added on branch
3534		new_design.
3535
3536	<	2004-11-22 20:55 tim
3536	>	2004-11-22 15:55 tim
3537
3538		* src/io/DirectionalAtomTypesSectionParser.cpp: file
3539		DirectionalAtomTypesSectionParser.cpp was initially added on branch
3540		new_design.
3541
3542	<	2004-11-22 20:55 tim
3542	>	2004-11-22 15:55 tim
3543
3544		* src/io/SectionParserManager.cpp: file SectionParserManager.cpp
3545		was initially added on branch new_design.
3546
3547	<	2004-11-22 20:55 tim
3547	>	2004-11-22 15:55 tim
3548
3549		* src/io/AtomTypesSectionParser.cpp: file
3550		AtomTypesSectionParser.cpp was initially added on branch
3551		new_design.
3552
3553	<	2004-11-22 20:55 tim
3553	>	2004-11-22 15:55 tim
3554
3555		* src/io/ChargeAtomTypesSectionParser.cpp: file
3556		ChargeAtomTypesSectionParser.cpp was initially added on branch
3557		new_design.
3558
3559	<	2004-11-22 20:55 tim
3559	>	2004-11-22 15:55 tim
3560
3561		* src/io/DipoleAtomTypesSectionParser.cpp: file
3562		DipoleAtomTypesSectionParser.cpp was initially added on branch
3563		new_design.
3564
3565	<	2004-11-22 20:55 tim
3565	>	2004-11-22 15:55 tim
3566
3567		* src/io/LennardJonesAtomTypesSectionParser.cpp: file
3568		LennardJonesAtomTypesSectionParser.cpp was initially added on
3569		branch new_design.
3570
3571	<	2004-11-22 20:55 tim
3571	>	2004-11-22 15:55 tim
3572
3573		* src/io/ChargeAtomTypesSectionParser.hpp: file
3574		ChargeAtomTypesSectionParser.hpp was initially added on branch
3575		new_design.
3576
3577	<	2004-11-22 20:55 tim
3577	>	2004-11-22 15:55 tim
3578
3579		* src/io/StickyAtomTypesSectionParser.hpp: file
3580		StickyAtomTypesSectionParser.hpp was initially added on branch
3581		new_design.
3582
3583	<	2004-11-22 20:55 tim
3583	>	2004-11-22 15:55 tim
3584
3585		* src/io/SectionParser.hpp: file SectionParser.hpp was initially
3586		added on branch new_design.
3587
3588	<	2004-11-22 20:55 tim
3588	>	2004-11-22 15:55 tim
3589
3590		* src/: UseTheForce/DUFF.cpp, UseTheForce/ForceField.hpp,
3591		brains/SimSnapshotManager.cpp, brains/SnapShot.cpp,
#	Line 2933 \| Line 3607
3607		types/AtomType.hpp, types/DirectionalAtomType.hpp,
3608		utils/GenericData.hpp: adding section parsers
3609
3610	<	2004-11-22 20:55 tim
3610	>	2004-11-22 15:55 tim
3611
3612		* src/io/DirectionalAtomTypesParser.hpp: file
3613		DirectionalAtomTypesParser.hpp was initially added on branch
3614		new_design.
3615
3616	<	2004-11-22 20:55 tim
3616	>	2004-11-22 15:55 tim
3617
3618		* src/io/SectionParserManager.hpp: file SectionParserManager.hpp
3619		was initially added on branch new_design.
3620
3621	<	2004-11-22 20:55 tim
3621	>	2004-11-22 15:55 tim
3622
3623		* src/io/SectionParser.cpp: file SectionParser.cpp was initially
3624		added on branch new_design.
3625
3626	<	2004-11-19 22:12 tim
3626	>	2004-11-19 17:12 tim
3627
3628		* src/types/FixedBondType.hpp: file FixedBondType.hpp was initially
3629		added on branch new_design.
3630
3631	<	2004-11-19 22:12 tim
3631	>	2004-11-19 17:12 tim
3632
3633		* src/: brains/SimState.cpp, brains/SimState.hpp,
3634		io/InitializeFromFile.cpp, types/FixBondType.hpp,
3635		types/FixedBondType.hpp: remove more useless files
3636
3637	<	2004-11-19 21:47 tim
3637	>	2004-11-19 16:47 tim
3638
3639		* src/: UseTheForce/EAM_FF.cpp, UseTheForce/WATER.cpp,
3640		integrators/Integrator.cpp, applications/Makedepend: remove more
3641		useless files
3642
3643	<	2004-11-19 21:38 tim
3643	>	2004-11-19 16:38 tim
3644
3645		* src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
3646		UseTheForce/EAM.cpp, integrators/NPT.hpp, integrators/NPTf.hpp,
3647		integrators/NPTi.hpp, integrators/NPTxyz.hpp, integrators/NVT.cpp,
3648		integrators/NVT.hpp: refactory integrator
3649
3650	<	2004-11-19 21:38 tim
3650	>	2004-11-19 16:38 tim
3651
3652		* src/integrators/NPTi.hpp: file NPTi.hpp was initially added on
3653		branch new_design.
3654
3655	<	2004-11-19 21:38 tim
3655	>	2004-11-19 16:38 tim
3656
3657		* src/integrators/NPTf.hpp: file NPTf.hpp was initially added on
3658		branch new_design.
3659
3660	<	2004-11-19 21:38 tim
3660	>	2004-11-19 16:38 tim
3661
3662		* src/integrators/NPT.hpp: file NPT.hpp was initially added on
3663		branch new_design.
3664
3665	<	2004-11-19 21:38 tim
3665	>	2004-11-19 16:38 tim
3666
3667		* src/integrators/NPTxyz.hpp: file NPTxyz.hpp was initially added
3668		on branch new_design.
3669
3670	<	2004-11-19 21:38 tim
3670	>	2004-11-19 16:38 tim
3671
3672		* src/integrators/NVT.hpp: file NVT.hpp was initially added on
3673		branch new_design.
3674
3675	<	2004-11-19 20:37 tim
3675	>	2004-11-19 15:37 tim
3676
3677		* forceFields/newDUFF.frc: new DUFF forcefield
3678
3679	<	2004-11-19 20:23 tim
3679	>	2004-11-19 15:23 tim
3680
3681		* src/UseTheForce/EAM.hpp: file EAM.hpp was initially added on
3682		branch new_design.
3683
3684	<	2004-11-19 20:23 tim
3684	>	2004-11-19 15:23 tim
3685
3686		* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM.cpp,
3687		UseTheForce/EAM.hpp, UseTheForce/ForceField.hpp,
3688		utils/TypeContainer.hpp: add EAM
3689
3690	<	2004-11-19 20:23 tim
3690	>	2004-11-19 15:23 tim
3691
3692		* src/UseTheForce/EAM.cpp: file EAM.cpp was initially added on
3693		branch new_design.
3694
3695	<	2004-11-19 18:02 tim
3695	>	2004-11-19 13:02 tim
3696
3697		* src/UseTheForce/: DUFF.cpp, DUFF.hpp: DUFF is almost done except
3698		error checking
3699
3700	<	2004-11-19 17:56 tim
3700	>	2004-11-19 12:56 tim
3701
3702		* src/integrators/IntegratorFactory.hpp: file IntegratorFactory.hpp
3703		was initially added on branch new_design.
3704
3705	<	2004-11-19 17:56 tim
3705	>	2004-11-19 12:56 tim
3706
3707		* src/integrators/IntegratorFactory.cpp: file IntegratorFactory.cpp
3708		was initially added on branch new_design.
3709
3710	<	2004-11-19 17:56 tim
3710	>	2004-11-19 12:56 tim
3711
3712		* src/types/FixBondType.hpp: file FixBondType.hpp was initially
3713		added on branch new_design.
3714
3715	<	2004-11-19 17:56 tim
3715	>	2004-11-19 12:56 tim
3716
3717		* src/: integrators/NVE.cpp, UseTheForce/DUFF.cpp,
3718		UseTheForce/DUFF.hpp, UseTheForce/ForceField.cpp,
#	Line 3049 \| Line 3723
3723		utils/StringTokenizer.cpp: DUFF is almost done except error
3724		checking
3725
3726	<	2004-11-19 00:11 tim
3726	>	2004-11-18 19:11 tim
3727
3728		* src/UseTheForce/DUFF.cpp: adding DUFF parser
3729
3730	<	2004-11-18 23:26 tim
3730	>	2004-11-18 18:26 tim
3731
3732		* src/integrators/Velocitizer.cpp: file Velocitizer.cpp was
3733		initially added on branch new_design.
3734
3735	<	2004-11-18 23:26 tim
3735	>	2004-11-18 18:26 tim
3736
3737		* src/: UseTheForce/DUFF.hpp, integrators/NVE.cpp,
3738		integrators/Velocitizer.cpp, integrators/Velocitizer.hpp,
#	Line 3070 \| Line 3744
3744		types/QuadraticBondType.hpp, types/UreyBradleyBendType.hpp: adding
3745		DUFF parser
3746
3747	<	2004-11-18 21:42 tim
3747	>	2004-11-18 16:42 tim
3748
3749		* forceFields/newDUFF.frc: adding new format DUFF force field
3750
3751	<	2004-11-18 15:57 chrisfen
3751	>	2004-11-18 10:57 chrisfen
3752
3753		* src/UseTheForce/DarkSide/LJ.F90: Fixed a mixing list bug that
3754		slowed down the force loop
3755
3756	<	2004-11-18 05:42 tim
3756	>	2004-11-18 00:42 tim
3757
3758		* src/utils/NumericConstant.cpp: file NumericConstant.cpp was
3759		initially added on branch new_design.
3760
3761	<	2004-11-18 05:42 tim
3761	>	2004-11-18 00:42 tim
3762
3763		* src/utils/NumericConstant.hpp: file NumericConstant.hpp was
3764		initially added on branch new_design.
3765
3766	<	2004-11-18 05:42 tim
3766	>	2004-11-18 00:42 tim
3767
3768		* src/: UseTheForce/DUFF.cpp, UseTheForce/LJFF.cpp,
3769		primitives/Bend.cpp, utils/NumericConstant.cpp,
3770		utils/NumericConstant.hpp: Adding NumericConstant class
3771
3772	<	2004-11-18 04:16 tim
3772	>	2004-11-17 23:16 tim
3773
3774		* src/: applications/quickLate.c, UseTheForce/ForceFields.cpp,
3775		UseTheForce/ForceFields.hpp: remove more junk files
3776
3777	<	2004-11-18 04:12 tim
3777	>	2004-11-17 23:12 tim
3778
3779		* src/: brains/ForceFields.cpp, brains/SimSetup.cpp,
3780		brains/SimSetup.hpp, constraints/AbstractClasses.hpp,
#	Line 3109 \| Line 3783
3783		primitives/BondExtensions.cpp, primitives/SRI.hpp,
3784		primitives/TorsionExtensions.cpp: remove some junk files
3785
3786	<	2004-11-18 04:07 tim
3786	>	2004-11-17 23:07 tim
3787
3788		* src/primitives/BendExtensions.cpp: remove some junk files
3789
3790	<	2004-11-18 04:04 tim
3790	>	2004-11-17 23:04 tim
3791
3792		* src/types/: PolynomialTorsionType.hpp, QuadraticBendType.hpp,
3793		QuadraticBondType.hpp: refine QudraticBond
3794
3795	<	2004-11-18 03:57 tim
3795	>	2004-11-17 22:57 tim
3796
3797		* src/types/QuadraticBendType.hpp: add QuadraticBendType.hpp
3798
3799	<	2004-11-18 03:57 tim
3799	>	2004-11-17 22:57 tim
3800
3801		* src/types/QuadraticBendType.hpp: file QuadraticBendType.hpp was
3802		initially added on branch new_design.
3803
3804	<	2004-11-17 21:47 tim
3804	>	2004-11-17 16:47 tim
3805
3806		* src/types/UreyBradleyBendType.hpp: file UreyBradleyBendType.hpp
3807		was initially added on branch new_design.
3808
3809	<	2004-11-17 21:47 tim
3809	>	2004-11-17 16:47 tim
3810
3811		* src/types/CubicBendType.hpp: file CubicBendType.hpp was initially
3812		added on branch new_design.
3813
3814	<	2004-11-17 21:47 tim
3814	>	2004-11-17 16:47 tim
3815
3816		* src/primitives/GhostBend.hpp: file GhostBend.hpp was initially
3817		added on branch new_design.
3818
3819	<	2004-11-17 21:47 tim
3819	>	2004-11-17 16:47 tim
3820
3821		* src/types/QuadraticBondType.hpp: file QuadraticBondType.hpp was
3822		initially added on branch new_design.
3823
3824	<	2004-11-17 21:47 tim
3824	>	2004-11-17 16:47 tim
3825
3826		* src/primitives/UreyBradleyBend.cpp: file UreyBradleyBend.cpp was
3827		initially added on branch new_design.
3828
3829	<	2004-11-17 21:47 tim
3829	>	2004-11-17 16:47 tim
3830
3831		* src/primitives/UreyBradleyBend.hpp: file UreyBradleyBend.hpp was
3832		initially added on branch new_design.
3833
3834	<	2004-11-17 21:47 tim
3834	>	2004-11-17 16:47 tim
3835
3836		* src/types/CubicBondType.hpp: file CubicBondType.hpp was initially
3837		added on branch new_design.
3838
3839	<	2004-11-17 21:47 tim
3839	>	2004-11-17 16:47 tim
3840
3841		* src/: math/ChebyshevPolynomials.cpp,
3842		math/ChebyshevPolynomials.hpp, primitives/Bend.cpp,
#	Line 3174 \| Line 3848
3848		types/QuadraticBondType.hpp, types/UreyBradleyBendType.hpp:
3849		UreyBradleyBend and GhostBend
3850
3851	<	2004-11-17 18:58 tim
3851	>	2004-11-17 13:58 tim
3852
3853		* src/math/ChebyshevPolynomials.cpp: file ChebyshevPolynomials.cpp
3854		was initially added on branch new_design.
3855
3856	<	2004-11-17 18:58 tim
3856	>	2004-11-17 13:58 tim
3857
3858		* src/math/ChebyshevPolynomials.hpp: file ChebyshevPolynomials.hpp
3859		was initially added on branch new_design.
3860
3861	<	2004-11-17 18:58 tim
3861	>	2004-11-17 13:58 tim
3862
3863		* src/: math/ChebyshevPolynomials.cpp,
3864		math/ChebyshevPolynomials.hpp, math/Polynomial.hpp,
#	Line 3193 \| Line 3867
3867		types/PolynomialTorsionType.hpp, types/TorsionType.hpp: more types
3868		stuff and Chebyshev Polynomial
3869
3870	<	2004-11-17 18:58 tim
3870	>	2004-11-17 13:58 tim
3871
3872		* src/types/OplsTorsionType.hpp: file OplsTorsionType.hpp was
3873		initially added on branch new_design.
3874
3875	<	2004-11-17 06:37 tim
3875	>	2004-11-17 01:37 tim
3876
3877		* src/types/PolynomialTorsionType.hpp: file
3878		PolynomialTorsionType.hpp was initially added on branch new_design.
3879
3880	<	2004-11-17 06:37 tim
3880	>	2004-11-17 01:37 tim
3881
3882		* src/types/CharmmTorsionType.cpp: file CharmmTorsionType.cpp was
3883		initially added on branch new_design.
3884
3885	<	2004-11-17 06:37 tim
3885	>	2004-11-17 01:37 tim
3886
3887		* src/: math/Polynomial.hpp, primitives/Bend.cpp,
3888		primitives/Bend.hpp, primitives/Torsion.cpp, types/BendType.hpp,
#	Line 3222 \| Line 3896
3896		CharmmTorsionType. Need to refine the design and add document for
3897		them
3898
3899	<	2004-11-17 06:37 tim
3899	>	2004-11-17 01:37 tim
3900
3901		* src/types/CharmmTorsionType.hpp: file CharmmTorsionType.hpp was
3902		initially added on branch new_design.
3903
3904	<	2004-11-17 06:37 tim
3904	>	2004-11-17 01:37 tim
3905
3906		* src/types/HarmonicBendType.hpp: file HarmonicBendType.hpp was
3907		initially added on branch new_design.
3908
3909	<	2004-11-17 06:37 tim
3909	>	2004-11-17 01:37 tim
3910
3911		* src/types/PolynomialBendType.hpp: file PolynomialBendType.hpp was
3912		initially added on branch new_design.
3913
3914	<	2004-11-17 01:11 tim
3914	>	2004-11-16 20:11 tim
3915
3916		* src/types/: BendType.hpp, PolynomialBondType.hpp,
3917		TorsionType.hpp: add PolynomialBondType
3918
3919	<	2004-11-17 01:11 tim
3919	>	2004-11-16 20:11 tim
3920
3921		* src/types/PolynomialBondType.hpp: file PolynomialBondType.hpp was
3922		initially added on branch new_design.
3923
3924	<	2004-11-16 23:20 tim
3924	>	2004-11-16 18:20 tim
3925
3926		* src/math/Polynomial.hpp: file Polynomial.hpp was initially added
3927		on branch new_design.
3928
3929	<	2004-11-16 23:20 tim
3929	>	2004-11-16 18:20 tim
3930
3931		* src/math/Polynomial.hpp: Adding Polynomial class
3932
3933	<	2004-11-16 22:04 gezelter
3933	>	2004-11-16 17:04 gezelter
3934
3935		* src/types/MorseBondType.hpp: file MorseBondType.hpp was initially
3936		added on branch new_design.
3937
3938	<	2004-11-16 22:04 gezelter
3938	>	2004-11-16 17:04 gezelter
3939
3940		* src/types/HarmonicBondType.hpp: file HarmonicBondType.hpp was
3941		initially added on branch new_design.
3942
3943	<	2004-11-16 22:04 gezelter
3943	>	2004-11-16 17:04 gezelter
3944
3945		* src/types/: BendType.hpp, BondType.hpp, HarmonicBondType.hpp,
3946		MorseBondType.hpp, TorsionType.hpp: added some new stuff
3947
3948	<	2004-11-16 20:36 tim
3948	>	2004-11-16 15:36 tim
3949
3950		* src/: primitives/Bend.cpp, primitives/Bend.hpp,
3951		primitives/Torsion.cpp, primitives/Torsion.hpp, types/BendType.hpp,
3952		types/BondType.hpp, types/TorsionType.hpp: BondType, BendType and
3953		TorsionType
3954
3955	<	2004-11-16 02:07 tim
3955	>	2004-11-15 21:07 tim
3956
3957		* src/UseTheForce/DUFF.hpp: file DUFF.hpp was initially added on
3958		branch new_design.
3959
3960	<	2004-11-16 02:07 tim
3960	>	2004-11-15 21:07 tim
3961
3962		* src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
3963		UseTheForce/LJFF.cpp, UseTheForce/LJFF.hpp,
3964		utils/StringTokenizer.cpp: adding DUFF class; adding checking
3965		statement to nextTokenAsInt and nextTokenAsFloat in StringTokenizer
3966
3967	<	2004-11-15 23:00 tim
3967	>	2004-11-15 18:00 tim
3968
3969		* src/: UseTheForce/ForceField.cpp, UseTheForce/ForceField.hpp,
3970		UseTheForce/ForceFieldFactory.cpp,
#	Line 3298 \| Line 3972
3972		UseTheForce/LJFF.hpp, brains/SimCreator.cpp, types/AtomType.cpp,
3973		types/AtomType.hpp: adding ForceFieldFactory and LJFF classes
3974
3975	<	2004-11-15 23:00 tim
3975	>	2004-11-15 18:00 tim
3976
3977		* src/UseTheForce/ForceFieldFactory.cpp: file ForceFieldFactory.cpp
3978		was initially added on branch new_design.
3979
3980	<	2004-11-15 23:00 tim
3980	>	2004-11-15 18:00 tim
3981
3982		* src/UseTheForce/ForceFieldFactory.hpp: file ForceFieldFactory.hpp
3983		was initially added on branch new_design.
3984
3985	<	2004-11-15 23:00 tim
3985	>	2004-11-15 18:00 tim
3986
3987		* src/UseTheForce/LJFF.hpp: file LJFF.hpp was initially added on
3988		branch new_design.
3989
3990	<	2004-11-15 18:02 tim
3990	>	2004-11-15 13:02 tim
3991
3992		* src/integrators/Velocitizer.hpp: file Velocitizer.hpp was
3993		initially added on branch new_design.
3994
3995	<	2004-11-15 18:02 tim
3995	>	2004-11-15 13:02 tim
3996
3997		* src/io/DumpWrite.hpp: file DumpWrite.hpp was initially added on
3998		branch new_design.
3999
4000	<	2004-11-15 18:02 tim
4000	>	2004-11-15 13:02 tim
4001
4002		* src/io/DumpReader.hpp: file DumpReader.hpp was initially added on
4003		branch new_design.
4004
4005	<	2004-11-15 18:02 tim
4005	>	2004-11-15 13:02 tim
4006
4007		* src/: brains/SimInfo.cpp, brains/SimInfo.hpp,
4008		brains/Snapshot.hpp, io/DumpReader.cpp, io/DumpWriter.cpp,
#	Line 3336 \| Line 4010
4010		io/ReadWrite.hpp, utils/StringTokenizer.hpp: finish DumpReader,
4011		DumpWriter.Next Step is LJFF and integrators
4012
4013	<	2004-11-13 05:08 tim
4013	>	2004-11-13 00:08 tim
4014
4015		* src/: brains/ForceManager.cpp, brains/ForceManager.hpp,
4016		brains/SimCreator.cpp, brains/SimCreator.hpp, brains/SimInfo.cpp,
#	Line 3344 \| Line 4018
4018		primitives/Molecule.hpp, primitives/RigidBody.cpp: refactory,
4019		refactory, refactory
4020
4021	<	2004-11-12 22:43 tim
4021	>	2004-11-12 17:43 tim
4022
4023		* src/utils/: StreamTokenizer.cpp, StringTokenizer.hpp,
4024		StringTokenizer.cpp: bug fix in hasMoreTokens
4025
4026	<	2004-11-12 22:28 tim
4026	>	2004-11-12 17:28 tim
4027
4028		* src/utils/StringTokenizer.cpp: file StringTokenizer.cpp was
4029		initially added on branch new_design.
4030
4031	<	2004-11-12 22:28 tim
4031	>	2004-11-12 17:28 tim
4032
4033		* src/utils/: StringTokenizer.cpp, StringTokenizer.hpp: adding
4034		StringUtils, a c-style strtok like class, need unit test
4035
4036	<	2004-11-12 17:40 tim
4036	>	2004-11-12 12:40 tim
4037
4038		* src/: UseTheForce/ForceField.cpp, UseTheForce/ForceField.hpp,
4039		brains/SimCreator.cpp, brains/SimCreator.hpp, brains/SimInfo.cpp,
4040		brains/SimInfo.hpp: SimCreator and SimInfo are ready for unit test
4041
4042	<	2004-11-12 07:05 tim
4042	>	2004-11-12 02:05 tim
4043
4044		* src/: brains/MoleculeCreator.cpp, brains/MoleculeCreator.hpp,
4045		primitives/CutoffGroup.hpp, primitives/Molecule.cpp:
4046		MoleculeCreator forget to create CutoffGroups for free atoms
4047
4048	<	2004-11-12 06:19 tim
4048	>	2004-11-12 01:19 tim
4049
4050		* src/: brains/MoleculeCreator.cpp, brains/SimCreator.cpp,
4051		brains/SimCreator.hpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
#	Line 3379 \| Line 4053
4053		io/parse_me.h, primitives/Molecule.cpp, primitives/Molecule.hpp:
4054		OOPSE = Object-Obfuscated Parallel Simulation Engine
4055
4056	<	2004-11-11 21:48 chrisfen
4056	>	2004-11-11 16:48 chrisfen
4057
4058		* samples/water/tip3p_ice/tp3.md: working sample
4059
4060	<	2004-11-11 21:47 chrisfen
4060	>	2004-11-11 16:47 chrisfen
4061
4062		* src/restraints/Restraints.cpp: working towards parallel
4063		restraints
4064
4065	<	2004-11-11 21:47 chrisfen
4065	>	2004-11-11 16:47 chrisfen
4066
4067		* src/integrators/Integrator.cpp: Commented out some write
4068		statements
4069
4070	<	2004-11-11 21:46 chrisfen
4070	>	2004-11-11 16:46 chrisfen
4071
4072		* src/UseTheForce/: Shapes_FF.cpp, doForces.F90: Got rid of some
4073		write statements
4074
4075	<	2004-11-11 21:46 chrisfen
4075	>	2004-11-11 16:46 chrisfen
4076
4077		* samples/water/tip3p_ice/tp3.md: Fun with ice
4078
4079	<	2004-11-11 16:41 tim
4079	>	2004-11-11 11:41 tim
4080
4081		* src/: brains/Exclude.cpp, brains/Exclude.hpp,
4082		brains/SimCreator.cpp, brains/SimCreator.hpp, brains/SimInfo.cpp,
#	Line 3411 \| Line 4085
4085		io/StatWriter.hpp, utils/Utility.hpp: add Snapshot.cpp, remove
4086		useless mpiSimulation
4087
4088	<	2004-11-11 16:41 tim
4088	>	2004-11-11 11:41 tim
4089
4090		* src/brains/SnapShot.cpp: file SnapShot.cpp was initially added on
4091		branch new_design.
4092
4093	<	2004-11-10 22:50 tim
4093	>	2004-11-10 17:50 tim
4094
4095		* src/: brains/ForceManager.cpp, brains/SimInfo.cpp,
4096		brains/SimInfo.hpp, brains/Stats.hpp, brains/mpiSimulation.hpp,
4097		integrators/NVE.cpp, io/StatWriter.cpp: more work on SimInfo
4098
4099	<	2004-11-10 22:01 tim
4099	>	2004-11-10 17:01 tim
4100
4101		* src/: brains/SimCreator.cpp, brains/SimCreator.hpp,
4102		brains/SimInfo.cpp, brains/SimInfo.hpp, brains/SimSetup.cpp,
#	Line 3436 \| Line 4110
4110		BendType, TorsionType (4)Integrator (5)oopse.cpp (6)visitors &
4111		Dump2XYZ (7)SimpleBuilder (8)Constraint & ZConstraint
4112
4113	<	2004-11-10 14:52 tim
4113	>	2004-11-10 09:52 tim
4114
4115		* src/: brains/mpiSimulation.cpp, io/StatWriter.hpp: add a
4116		configurable StatWriter
4117
4118	<	2004-11-10 14:52 tim
4118	>	2004-11-10 09:52 tim
4119
4120		* src/io/StatWriter.hpp: file StatWriter.hpp was initially added on
4121		branch new_design.
4122
4123	<	2004-11-10 02:58 tim
4123	>	2004-11-09 21:58 tim
4124
4125		* src/brains/: mpiSimulation.cpp, mpiSimulation.hpp: mpiSimulation
4126		in progress
4127
4128	<	2004-11-09 23:11 tim
4128	>	2004-11-09 18:11 tim
4129
4130		* src/brains/ForceManager.cpp: file ForceManager.cpp was initially
4131		added on branch new_design.
4132
4133	<	2004-11-09 23:11 tim
4133	>	2004-11-09 18:11 tim
4134
4135		* src/integrators/VelocityVerletIntegrator.cpp: file
4136		VelocityVerletIntegrator.cpp was initially added on branch
4137		new_design.
4138
4139	<	2004-11-09 23:11 tim
4139	>	2004-11-09 18:11 tim
4140
4141		* src/: UseTheForce/mpiComponentPlan.h, brains/ForceManager.cpp,
4142		brains/ForceManager.hpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
#	Line 3471 \| Line 4145
4145		integrators/NVE.cpp, integrators/VelocityVerletIntegrator.cpp,
4146		integrators/VelocityVerletIntegrator.hpp: adding ForceManager
4147
4148	<	2004-11-09 23:11 tim
4148	>	2004-11-09 18:11 tim
4149
4150		* src/brains/ForceManager.hpp: file ForceManager.hpp was initially
4151		added on branch new_design.
4152
4153	<	2004-11-09 23:11 tim
4153	>	2004-11-09 18:11 tim
4154
4155		* src/integrators/NVE.cpp: file NVE.cpp was initially added on
4156		branch new_design.
4157
4158	<	2004-11-09 01:08 tim
4158	>	2004-11-08 20:08 tim
4159
4160		* src/integrators/VelocityVerletIntegrator.hpp: file
4161		VelocityVerletIntegrator.hpp was initially added on branch
4162		new_design.
4163
4164	<	2004-11-09 01:08 tim
4164	>	2004-11-08 20:08 tim
4165
4166		* src/integrators/NVE.hpp: file NVE.hpp was initially added on
4167		branch new_design.
4168
4169	<	2004-11-09 01:08 tim
4169	>	2004-11-08 20:08 tim
4170
4171		* src/: brains/Exclude.hpp, brains/Stats.hpp,
4172		integrators/Integrator.hpp, integrators/NVE.hpp,
4173		integrators/VelocityVerletIntegrator.hpp, io/StatWriter.cpp,
4174		utils/TypeContainer.hpp: More to break
4175
4176	<	2004-11-06 05:21 tim
4176	>	2004-11-06 00:21 tim
4177
4178		* src/utils/TypeContainer.hpp: file TypeContainer.hpp was initially
4179		added on branch new_design.
4180
4181	<	2004-11-06 05:21 tim
4181	>	2004-11-06 00:21 tim
4182
4183		* src/: brains/SimCreator.hpp, UseTheForce/ForceField.cpp,
4184		UseTheForce/ForceField.hpp, io/basic_ifstrstream.hpp,
4185		utils/TypeContainer.hpp, utils/next_combination.hpp: adding
4186		ForceField and TypeContainer classes
4187
4188	<	2004-11-05 23:38 tim
4188	>	2004-11-05 18:38 tim
4189
4190		* src/brains/MoleculeCreator.cpp: file MoleculeCreator.cpp was
4191		initially added on branch new_design.
4192
4193	<	2004-11-05 23:38 tim
4193	>	2004-11-05 18:38 tim
4194
4195		* src/brains/MoleculeCreator.hpp: file MoleculeCreator.hpp was
4196		initially added on branch new_design.
4197
4198	<	2004-11-05 23:38 tim
4198	>	2004-11-05 18:38 tim
4199
4200		* src/: brains/Exclude.cpp, brains/Exclude.hpp,
4201		brains/MoleculeCreator.cpp, brains/MoleculeCreator.hpp,
#	Line 3529 \| Line 4203
4203		brains/SimInfo.hpp, primitives/Molecule.hpp,
4204		utils/LocalndexManager.hpp: Fix Exclude class etc.
4205
4206	<	2004-11-05 21:45 chrisfen
4206	>	2004-11-05 16:45 chrisfen
4207
4208		* src/: applications/dump2Xyz/Dump2XYZ.cpp,
4209		visitors/AtomVisitor.cpp, visitors/AtomVisitor.hpp: Added the
4210		linear visitor
4211
4212	<	2004-11-05 21:04 chrisfen
4212	>	2004-11-05 16:04 chrisfen
4213
4214		* src/UseTheForce/DarkSide/shapes.F90: current status of the
4215		debugging process
4216
4217	<	2004-11-05 21:04 chrisfen
4217	>	2004-11-05 16:04 chrisfen
4218
4219		* make/Makefile.in: included visitors and minimizer
4220
4221	<	2004-11-05 21:03 chrisfen
4221	>	2004-11-05 16:03 chrisfen
4222
4223		* ChangeLog: new changes
4224
4225	<	2004-11-05 02:56 tim
4225	>	2004-11-04 21:56 tim
4226
4227		* src/: brains/SimCreator.cpp, brains/SimCreator.hpp,
4228		primitives/Molecule.hpp: Pain......
4229
4230	<	2004-11-04 20:55 tim
4230	>	2004-11-04 15:55 tim
4231
4232		* ChangeLog, make/Makefile.in, src/brains/SimCreator.cpp,
4233		src/brains/SimCreator.hpp, src/brains/SimInfo.hpp,
4234		src/brains/Stats.hpp: time to break SimSetup
4235
4236	<	2004-11-04 20:51 gezelter
4236	>	2004-11-04 15:51 gezelter
4237
4238		* src/UseTheForce/: ForceField.cpp, ForceField.hpp: added new
4239		classes in progress
4240
4241	<	2004-11-04 19:48 tim
4241	>	2004-11-04 14:48 tim
4242
4243		* src/brains/Stats.cpp: file Stats.cpp was initially added on
4244		branch new_design.
4245
4246	<	2004-11-04 19:48 tim
4246	>	2004-11-04 14:48 tim
4247
4248		* src/brains/Stats.hpp: file Stats.hpp was initially added on
4249		branch new_design.
4250
4251	<	2004-11-04 19:48 tim
4251	>	2004-11-04 14:48 tim
4252
4253		* src/brains/: SimInfo.cpp, SimInfo.hpp, SimModel.cpp,
4254		SimModel.hpp, Snapshot.hpp, Stats.cpp, Stats.hpp: adding Stats
4255		class
4256
4257	<	2004-11-04 16:22 gezelter
4257	>	2004-11-04 11:22 gezelter
4258
4259		* src/primitives/: DirectionalAtom.cpp, DirectionalAtom.hpp,
4260		RigidBody.hpp, StuntDouble.cpp, StuntDouble.hpp: isLinear and
#	Line 3589 \| Line 4263
4263		false and "-1" but there should be logic to figure them out in the
4264		other two classes
4265
4266	<	2004-11-04 16:20 gezelter
4266	>	2004-11-04 11:20 gezelter
4267
4268		* src/: brains/ForceFields.cpp, integrators/Integrator.cpp: Don't
4269		remember what I did
4270
4271	<	2004-11-04 16:20 gezelter
4271	>	2004-11-04 11:20 gezelter
4272
4273		* src/UseTheForce/DarkSide/shapes.F90: Breaky Breaky
4274
4275	<	2004-11-04 16:20 gezelter
4275	>	2004-11-04 11:20 gezelter
4276
4277		* src/UseTheForce/: DUFF.cpp, WATER.cpp, doForces.F90: fixed useXXX
4278		in the entry_plug so that it only is set if the atoms really are in
4279		the simulation
4280
4281	<	2004-11-04 16:20 gezelter
4281	>	2004-11-04 11:20 gezelter
4282
4283		* samples/water/ssd/ssd.md: testing force fields
4284
4285	<	2004-11-04 16:19 gezelter
4285	>	2004-11-04 11:19 gezelter
4286
4287		* samples/shape/linear.in: testing shapes
4288
4289	<	2004-11-03 19:56 tim
4289	>	2004-11-03 14:56 tim
4290
4291		* src/brains/: SimCreator.cpp, SimCreator.hpp: Adding SimCreator
4292		class(similar as SimSetup)
4293
4294	<	2004-11-03 19:56 tim
4294	>	2004-11-03 14:56 tim
4295
4296		* src/brains/SimCreator.hpp: file SimCreator.hpp was initially
4297		added on branch new_design.
4298
4299	<	2004-11-03 19:56 tim
4299	>	2004-11-03 14:56 tim
4300
4301		* src/brains/SimCreator.cpp: file SimCreator.cpp was initially
4302		added on branch new_design.
4303
4304	<	2004-11-03 18:00 tim
4304	>	2004-11-03 13:00 tim
4305
4306		* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
4307		UseTheForce/ForceFields.cpp, UseTheForce/LJFF.cpp,
#	Line 3637 \| Line 4311
4311		visitors/BaseVisitor.hpp, visitors/ZconsVisitor.cpp: ForceFiled get
4312		compiled. Still a long way to go ......
4313
4314	<	2004-11-03 16:08 tim
4314	>	2004-11-03 11:08 tim
4315
4316		* ChangeLog, src/brains/SimInfo.cpp, src/brains/SimInfo.hpp,
4317		src/constraints/ZConstraint.cpp, src/integrators/NPT.cpp,
#	Line 3652 \| Line 4326
4326		src/visitors/OtherVisitor.cpp, src/visitors/RigidBodyVisitor.cpp,
4327		src/visitors/ZconsVisitor.cpp, test/utils/Makefile: mess up ......
4328
4329	<	2004-11-02 22:41 tim
4329	>	2004-11-02 17:41 tim
4330
4331		* src/: brains/Migrator.hpp, brains/SimModel.cpp,
4332		utils/LocalndexManager.hpp: Adding LocalIndexManager and Migrator.
4333		Need unit test
4334
4335	<	2004-11-02 22:41 tim
4335	>	2004-11-02 17:41 tim
4336
4337		* src/utils/LocalndexManager.hpp: file LocalndexManager.hpp was
4338		initially added on branch new_design.
4339
4340	<	2004-11-02 22:41 tim
4340	>	2004-11-02 17:41 tim
4341
4342		* src/brains/Migrator.hpp: file Migrator.hpp was initially added on
4343		branch new_design.
4344
4345	<	2004-11-02 16:59 tim
4345	>	2004-11-02 11:59 tim
4346
4347		* src/brains/SimModel.cpp: file SimModel.cpp was initially added on
4348		branch new_design.
4349
4350	<	2004-11-02 16:59 tim
4350	>	2004-11-02 11:59 tim
4351
4352		* src/brains/: SimModel.cpp, SimModel.hpp, SimSnapshotManager.cpp,
4353		SimSnapshotManager.hpp: SimModel in progress
4354
4355	<	2004-11-02 15:28 chrisfen
4355	>	2004-11-02 10:28 chrisfen
4356
4357		* src/: UseTheForce/DarkSide/shapes.F90,
4358		primitives/StuntDouble.cpp, primitives/StuntDouble.hpp: Shapes
4359		looks like it's working
4360
4361	<	2004-11-02 15:27 tim
4361	>	2004-11-02 10:27 tim
4362
4363		* src/utils/MemoryUtils.hpp: adding MemoryUtils which provide some
4364		functions for dealing with memory issue
4365
4366	<	2004-11-02 15:27 tim
4366	>	2004-11-02 10:27 tim
4367
4368		* src/utils/MemoryUtils.hpp: file MemoryUtils.hpp was initially
4369		added on branch new_design.
4370
4371	<	2004-11-02 15:23 tim
4371	>	2004-11-02 10:23 tim
4372
4373		* src/: brains/SimModel.hpp, brains/Snapshot.hpp,
4374		brains/SnapshotManager.hpp, primitives/Molecule.hpp: adding
4375		SimModel(something similar as SimInfo)
4376
4377	<	2004-11-01 22:52 tim
4377	>	2004-11-01 17:52 tim
4378
4379		* src/: applications/simpleBuilder/MoLocator.hpp,
4380		applications/simpleBuilder/simpleBuilder.cpp,
#	Line 3719 \| Line 4393
4393		visitors/RigidBodyVisitor.cpp: Molecule, Atom, DirectionalAtom,
4394		RigidBody and StuntDouble classes get compiled
4395
4396	<	2004-11-01 21:40 tim
4396	>	2004-11-01 16:40 tim
4397
4398		* src/primitives/Torsion.hpp: file Torsion.hpp was initially added
4399		on branch new_design.
4400
4401	<	2004-11-01 21:40 tim
4401	>	2004-11-01 16:40 tim
4402
4403		* src/primitives/Bend.hpp: file Bend.hpp was initially added on
4404		branch new_design.
4405
4406	<	2004-11-01 21:40 tim
4406	>	2004-11-01 16:40 tim
4407
4408		* src/primitives/Bond.hpp: file Bond.hpp was initially added on
4409		branch new_design.
4410
4411	<	2004-11-01 21:40 tim
4411	>	2004-11-01 16:40 tim
4412
4413		* src/primitives/: Bend.hpp, Bond.hpp, Torsion.hpp: add initial
4414		version of Bond, Bend and Torsion.
4415
4416	<	2004-11-01 21:37 tim
4416	>	2004-11-01 16:37 tim
4417
4418		* src/types/BendType.hpp: file BendType.hpp was initially added on
4419		branch new_design.
4420
4421	<	2004-11-01 21:37 tim
4421	>	2004-11-01 16:37 tim
4422
4423		* src/types/: BendType.hpp, BondType.hpp, TorsionType.hpp: adding
4424		BondType, BendType, TorsionType
4425
4426	<	2004-11-01 21:37 tim
4426	>	2004-11-01 16:37 tim
4427
4428		* src/types/TorsionType.hpp: file TorsionType.hpp was initially
4429		added on branch new_design.
4430
4431	<	2004-11-01 21:37 tim
4431	>	2004-11-01 16:37 tim
4432
4433		* src/types/BondType.hpp: file BondType.hpp was initially added on
4434		branch new_design.
4435
4436	<	2004-11-01 20:15 tim
4436	>	2004-11-01 15:15 tim
4437
4438		* src/primitives/: Atom.cpp, Atom.hpp, Bend.cpp, Bond.cpp,
4439		CutoffGroup.hpp, DirectionalAtom.cpp, DirectionalAtom.hpp,
#	Line 3767 \| Line 4441
4441		RigidBody.hpp, StuntDouble.cpp, StuntDouble.hpp, Torsion.cpp:
4442		break, break and break.....
4443
4444	<	2004-11-01 19:57 tim
4444	>	2004-11-01 14:57 tim
4445
4446		* test/brains/: Atom.cpp, DirectioanlAtom.cpp, DirectionalAtom.cpp,
4447		DirectionalAtom.hpp, RigidBody.cpp, RigidBody.hpp, StuntDouble.cpp,
4448		StuntDouble.hpp: these core classes get compiled
4449
4450	<	2004-10-29 22:37 tim
4450	>	2004-10-29 17:37 tim
4451
4452		* test/brains/: Molecule.cpp, Molecule.hpp: more work on Molecule
4453		class
4454
4455	<	2004-10-29 22:28 chrisfen
4455	>	2004-10-29 17:28 chrisfen
4456
4457		* src/: UseTheForce/DarkSide/atype.F90,
4458		UseTheForce/DarkSide/shapes.F90, math/RealSphericalHarmonic.cpp,
4459		types/ShapeAtomType.cpp: still debugging
4460
4461	<	2004-10-29 22:28 chrisfen
4461	>	2004-10-29 17:28 chrisfen
4462
4463		* src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp, doForces.F90:
4464		shapes rcut calculator added
4465
4466	<	2004-10-29 22:27 chrisfen
4466	>	2004-10-29 17:27 chrisfen
4467
4468		* samples/shape/linear.md: shorter run
4469
4470	<	2004-10-29 20:54 tim
4470	>	2004-10-29 15:54 tim
4471
4472		* test/brains/: Molecule.cpp, Molecule.hpp: rewrite Molecule class.
4473
4474	<	2004-10-29 16:22 tim
4474	>	2004-10-29 11:22 tim
4475
4476		* test/utils/: GenerateCombination.hpp, ReplaceWildCard.hpp,
4477		ReplaceWildCardTestCase.cpp, ReplaceWildCardTestCase.hpp: Remove
4478		some deprecated files
4479
4480	<	2004-10-29 16:20 tim
4480	>	2004-10-29 11:20 tim
4481
4482		* test/brains/: Atom.cpp, Atom.hpp, DirectioanlAtom.cpp,
4483		DirectionalAtom.hpp, RigidBody.cpp, RigidBody.hpp, StuntDouble.hpp:
4484		More painful reconstruction is coming !!!
4485
4486	<	2004-10-28 22:34 tim
4486	>	2004-10-28 17:34 tim
4487
4488		* src/brains/DataStorage.hpp, src/utils/next_combination.hpp,
4489		test/brains/DirectioanlAtom.cpp, test/brains/DirectionalAtom.hpp,
#	Line 3817 \| Line 4491
4491		test/brains/StuntDouble.hpp: More work on StuntDouble, Atom,
4492		DirectionalAtom and RigidBody
4493
4494	<	2004-10-28 22:26 tim
4494	>	2004-10-28 17:26 tim
4495
4496		* ChangeLog, src/applications/simpleBuilder/BaseLattice.hpp,
4497		src/applications/simpleBuilder/MoLocator.cpp,
#	Line 3825 \| Line 4499
4499		src/utils/GenericFactory.hpp, src/utils/next_combination.hpp:
4500		remove old Vector3d.hpp from application/simpleBuilder
4501
4502	<	2004-10-28 21:42 tim
4502	>	2004-10-28 16:42 tim
4503
4504		* src/utils/next_combination.hpp: Minor change in next_combination
4505
4506	<	2004-10-28 21:28 tim
4506	>	2004-10-28 16:28 tim
4507
4508		* src/utils/next_combination.hpp,
4509		test/utils/NextCombinationTestCase.cpp,
4510		test/utils/ReplaceWildCardTestCase.cpp: Done with combination
4511
4512	<	2004-10-28 21:11 tim
4512	>	2004-10-28 16:11 tim
4513
4514		* src/utils/next_combination.hpp: change documentation of
4515		next_combination.hpp
4516
4517	<	2004-10-28 20:41 tim
4517	>	2004-10-28 15:41 tim
4518
4519		* ChangeLog, src/utils/next_combination.hpp,
4520		test/utils/NextCombinationTestCase.cpp,
4521		test/utils/NextCombinationTestCase.hpp: ReplaceWildCard is working
4522
4523	<	2004-10-28 20:01 tim
4523	>	2004-10-28 15:01 tim
4524
4525		* src/utils/next_combination.hpp: adding replace wildcard function
4526
4527	<	2004-10-28 19:33 tim
4527	>	2004-10-28 14:33 tim
4528
4529		* src/utils/next_combination.hpp: Minor change
4530
4531	<	2004-10-28 19:06 tim
4531	>	2004-10-28 14:06 tim
4532
4533		* ChangeLog, src/applications/simpleBuilder/MoLocator.hpp,
4534		src/applications/simpleBuilder/simpleBuilder.cpp,
#	Line 3864 \| Line 4538
4538		test/utils/next_combination.hpp: STL next_permutation like
4539		next_combination is working
4540
4541	<	2004-10-28 17:22 chrisfen
4541	>	2004-10-28 12:22 chrisfen
4542
4543		* src/UseTheForce/WATER.cpp: fix of setDipoles
4544
4545	<	2004-10-28 17:20 gezelter
4545	>	2004-10-28 12:20 gezelter
4546
4547		* src/UseTheForce/Shapes_FF.cpp: forgot to advance lines in the
4548		shapeFile
4549
4550	<	2004-10-28 17:20 gezelter
4550	>	2004-10-28 12:20 gezelter
4551
4552		* samples/shape/linear.md: forgot the orientation line
4553
4554	<	2004-10-28 16:56 gezelter
4554	>	2004-10-28 11:56 gezelter
4555
4556		* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
4557		UseTheForce/ForceFields.hpp, UseTheForce/LJFF.cpp,
4558		UseTheForce/WATER.cpp, types/AtomType.cpp: fixed duplicate
4559		declaration foo
4560
4561	<	2004-10-28 16:55 gezelter
4561	>	2004-10-28 11:55 gezelter
4562
4563		* samples/lipid/5x5.md: uncommented .in line
4564
4565	<	2004-10-28 15:42 tim
4565	>	2004-10-28 10:42 tim
4566
4567		* test/utils/: Makefile, NextCombinationTestCase.cpp,
4568		NextCombinationTestCase.hpp, next_combination.hpp: next_combination
4569		in progress
4570
4571	<	2004-10-28 15:15 tim
4571	>	2004-10-28 10:15 tim
4572
4573		* test/utils/: NextCombinationTestCase.cpp,
4574		NextCombinationTestCase.hpp: adding next_combination test case
4575
4576	<	2004-10-28 15:02 tim
4576	>	2004-10-28 10:02 tim
4577
4578		* test/utils/next_combination.hpp: STL Compatible combination
4579		sequence generator
4580
4581	<	2004-10-28 06:23 tim
4581	>	2004-10-28 01:23 tim
4582
4583		* test/utils/: GenerateCombination.hpp,
4584		ReplaceWildCardTestCase.cpp: bug fixed in GenerateCombination.hpp
4585
4586	<	2004-10-28 06:16 tim
4586	>	2004-10-28 01:16 tim
4587
4588		* test/utils/GenerateCombination.hpp: a STL next_permutaion like
4589		next_combination function.
4590
4591	<	2004-10-28 03:27 tim
4591	>	2004-10-27 22:27 tim
4592
4593		* test/utils/ReplaceWildCard.hpp: no message
4594
4595	<	2004-10-28 03:14 tim
4595	>	2004-10-27 22:14 tim
4596
4597		* test/utils/: ReplaceWildCard.hpp, ReplaceWildCardTestCase.cpp:
4598		ReplaceWildCard(recursive version) is working, need refactoring. An
4599		iterative version is on the way
4600
4601	<	2004-10-28 02:28 tim
4601	>	2004-10-27 21:28 tim
4602
4603		* test/utils/: Makefile, ReplaceWildCard.hpp,
4604		ReplaceWildCardTestCase.cpp: ReplaceWildCard in progress
4605
4606	<	2004-10-28 02:08 tim
4606	>	2004-10-27 21:08 tim
4607
4608		* test/utils/: ReplaceWildCardTestCase.cpp,
4609		ReplaceWildCardTestCase.hpp: Adding Test Case for ReplaceWildCard
4610
4611	<	2004-10-27 23:17 tim
4611	>	2004-10-27 18:17 tim
4612
4613		* test/utils/ReplaceWildCard.hpp: adding ReplaceWildCard.hpp, need
4614		test
4615
4616	<	2004-10-27 06:25 tim
4616	>	2004-10-27 01:25 tim
4617
4618		* src/utils/TupleMatcher.hpp: Adding Generic TupleMatcher, wild
4619		char matching is on the way
4620
4621	<	2004-10-27 06:07 tim
4621	>	2004-10-27 01:07 tim
4622
4623		* src/utils/Tuple.hpp: Adding Generic Tuple3 and Tuple4
4624
4625	<	2004-10-27 03:00 gezelter
4625	>	2004-10-26 22:00 gezelter
4626
4627		* src/UseTheForce/: EAM_FF.cpp, ForceFields.hpp: bug fix
4628
4629	<	2004-10-27 02:20 gezelter
4629	>	2004-10-26 21:20 gezelter
4630
4631		* src/UseTheForce/ForceFields.hpp: subclass foo
4632
4633	<	2004-10-27 02:16 gezelter
4633	>	2004-10-26 21:16 gezelter
4634
4635		* src/UseTheForce/: EAM_FF.cpp, LJFF.cpp, WATER.cpp: more char* ->
4636		string conversion
4637
4638	<	2004-10-27 00:01 gezelter
4638	>	2004-10-26 19:01 gezelter
4639
4640		* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
4641		UseTheForce/ForceFields.hpp, brains/SimSetup.cpp,
4642		brains/SimSetup.hpp: char* -> string
4643
4644	<	2004-10-26 22:25 gezelter
4644	>	2004-10-26 17:25 gezelter
4645
4646		* src/types/: AtomType.cpp, AtomType.hpp, DirectionalAtomType.hpp,
4647		Makefile, ShapeAtomType.cpp, ShapeAtomType.hpp, ShapeType.cpp,
4648		ShapeType.hpp: Making ShapeType into a ShapeAtomType, fixing some
4649		isXXX
4650
4651	<	2004-10-26 22:25 gezelter
4651	>	2004-10-26 17:25 gezelter
4652
4653		* src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp:
4654		define name collision
4655
4656	<	2004-10-26 22:24 gezelter
4656	>	2004-10-26 17:24 gezelter
4657
4658		* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
4659		UseTheForce/ForceFields.hpp, UseTheForce/LJFF.cpp,
#	Line 3988 \| Line 4662
4662		UseTheForce/DarkSide/shapes_interface.h, brains/SimSetup.cpp:
4663		forcefield refactoring for shapes
4664
4665	<	2004-10-26 22:24 gezelter
4665	>	2004-10-26 17:24 gezelter
4666
4667		* samples/shape/: 5CB.shape, 8CB.shape, C60.shape, C70.shape,
4668		Shapes.frc, cholesterol.shape, ethylBenzene.shape, linear.in,
4669		linear.md, linear.shape, toluene.shape: adding sample shape
4670		directory
4671
4672	<	2004-10-26 22:19 tim
4672	>	2004-10-26 17:19 tim
4673
4674		* ChangeLog, src/brains/DataStorage.cpp,
4675		src/brains/DataStorage.hpp, src/brains/Snapshot.hpp,
#	Line 4003 \| Line 4677
4677		test/brains/DataStorageTestCase.hpp, test/brains/Makefile:
4678		DataStorage passes unit test
4679
4680	<	2004-10-26 18:03 chrisfen
4680	>	2004-10-26 13:03 chrisfen
4681
4682		* src/UseTheForce/DarkSide/: shapes.F90, shapes_interface.h:
4683		Changes to help advance shapes
4684
4685	<	2004-10-26 18:02 chrisfen
4685	>	2004-10-26 13:02 chrisfen
4686
4687		* src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp: Changes to
4688		Shapes force field reader
4689
4690	<	2004-10-26 17:28 tim
4690	>	2004-10-26 12:28 tim
4691
4692		* src/brains/Snapshot.hpp, test/brains/RigidBody.hpp: Snaphot and
4693		SnapshotTestCase in progress
4694
4695	<	2004-10-25 22:46 tim
4695	>	2004-10-25 17:46 tim
4696
4697		* ChangeLog, src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
4698		src/math/SquareMatrix3.hpp, src/math/Vector.hpp,
#	Line 4027 \| Line 4701
4701		test/math/VectorTestCase.cpp: add getArray function to RectMatrix
4702		and Vector classes
4703
4704	<	2004-10-25 17:03 tim
4704	>	2004-10-25 12:03 tim
4705
4706		* ChangeLog, src/utils/GenericFactory.hpp,
4707		test/utils/GenericFactoryTestCase.cpp,
#	Line 4035 \| Line 4709
4709		GenericFactory Test Case. GenericFactory now can bed used to creat
4710		ForcefieldFactory and IntegratorFactory etc.
4711
4712	<	2004-10-25 04:08 tim
4712	>	2004-10-24 23:08 tim
4713
4714		* src/: brains/SimModel.hpp, brains/SimSnapshotManager.cpp,
4715		brains/SimSnapshotManager.hpp, brains/Snapshot.hpp,
4716		brains/SnapshotManager.hpp, utils/GenericFactory.hpp: more classes
4717		get reconstructed
4718
4719	<	2004-10-24 07:55 tim
4719	>	2004-10-24 02:55 tim
4720
4721		* src/utils/GenericFactory.hpp: GenericFactory pass unit test
4722
4723	<	2004-10-23 23:09 tim
4723	>	2004-10-23 18:09 tim
4724
4725		* test/brains/: Atom.hpp, DirectionalAtom.hpp, RigidBody.hpp,
4726		StuntDouble.cpp, StuntDouble.hpp, Atom.cpp, DirectioanlAtom.cpp,
4727		RigidBody.cpp: Refactoring in progress
4728
4729	<	2004-10-22 23:09 tim
4729	>	2004-10-22 18:09 tim
4730
4731		* ChangeLog, src/brains/Snapshot.hpp,
4732		src/brains/SnapshotManager.hpp, src/math/SquareMatrix.hpp,
4733		test/brains/SnapshotTestCase.cpp, test/brains/SnapshotTestCase.hpp,
4734		test/brains/StuntDouble.hpp: more work in Snapshot
4735
4736	<	2004-10-22 22:59 chrisfen
4736	>	2004-10-22 17:59 chrisfen
4737
4738		* src/: UseTheForce/LJFF.cpp,
4739		UseTheForce/DarkSide/atype_interface.h, types/AtomType.cpp: Dear
4740		god! It runs and conserves energy!
4741
4742	<	2004-10-22 22:54 chrisfen
4742	>	2004-10-22 17:54 chrisfen
4743
4744		* src/types/: AtomType.cpp, AtomType.hpp: strDUP not strCOPY
4745
4746	<	2004-10-22 22:53 chrisfen
4746	>	2004-10-22 17:53 chrisfen
4747
4748		* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
4749		UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp,
#	Line 4077 \| Line 4751
4751		brains/SimInfo.cpp, brains/SimInfo.hpp: fixey fixey the breakey
4752		breakey
4753
4754	<	2004-10-22 22:53 chrisfen
4754	>	2004-10-22 17:53 chrisfen
4755
4756		* make/Makefile.in: compiler flags
4757
4758	<	2004-10-22 21:20 gezelter
4758	>	2004-10-22 16:20 gezelter
4759
4760		* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
4761		UseTheForce/LJFF.cpp, UseTheForce/doForces.F90,
4762		brains/fSimulation.h, types/AtomType.hpp,
4763		types/DirectionalAtomType.hpp: fixey fixey
4764
4765	<	2004-10-22 20:22 gezelter
4765	>	2004-10-22 15:22 gezelter
4766
4767		* src/UseTheForce/DarkSide/: LJ.F90, atype.F90, atype_interface.h,
4768		charge.F90, charge_interface.h, dipole.F90, dipole_interface.h,
4769		lj_interface.h, shapes.F90, simulation.F90: Added un-busticated
4770		fortran files and c/Fortran interfaces
4771
4772	<	2004-10-22 20:21 gezelter
4772	>	2004-10-22 15:21 gezelter
4773
4774		* src/types/: AtomType.cpp, AtomType.hpp, AtomTypeProperties.h,
4775		DirectionalAtomType.hpp, Makefile: More on AtomType and
4776		DirectionalAtomType
4777
4778	<	2004-10-22 14:47 gezelter
4778	>	2004-10-22 09:47 gezelter
4779
4780		* src/types/AtomType.hpp: Adding AtomType
4781
4782	<	2004-10-21 21:31 tim
4782	>	2004-10-21 16:31 tim
4783
4784		* ChangeLog, src/brains/Snapshot.hpp,
4785		src/brains/SnapshotManager.hpp, src/math/RectMatrix.hpp,
#	Line 4114 \| Line 4788
4788		test/math/RectMatrixTestCase.cpp, test/math/VectorTestCase.cpp:
4789		Snapshot and SnapshotManager in progress
4790
4791	<	2004-10-21 21:30 tim
4791	>	2004-10-21 16:30 tim
4792
4793		* test/brains/: BrainsTest.cpp, Makefile,
4794		SnapshotManagerTestCase.cpp, SnapshotManagerTestCase.hpp,
4795		SnapshotTestCase.cpp, SnapshotTestCase.hpp: adding test case for
4796		Snapshot and snapshotManager.
4797
4798	<	2004-10-21 20:15 gezelter
4798	>	2004-10-21 15:15 gezelter
4799
4800		* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
4801		UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
#	Line 4132 \| Line 4806
4806		brains/SimSetup.cpp, types/AtomTypeProperties.h: Breaky Breaky.
4807		Fixey Fixey.
4808
4809	<	2004-10-21 16:32 tim
4809	>	2004-10-21 11:32 tim
4810
4811		* src/utils/GenericData.cpp, src/utils/Makefile,
4812		test/utils/Makefile, test/utils/UtilTest: remove some junk files
4813
4814	<	2004-10-21 16:24 tim
4814	>	2004-10-21 11:24 tim
4815
4816		* test/utils/GenericData.hpp: remove backup of GenericData.hpp
4817
4818	<	2004-10-21 16:22 tim
4818	>	2004-10-21 11:22 tim
4819
4820		* ChangeLog, src/brains/SimSetup.cpp,
4821		src/constraints/ZConstraint.cpp, src/constraints/ZconsData.hpp,
#	Line 4159 \| Line 4833
4833		src/visitors/ZconsVisitor.hpp: replace old GebericData with new
4834		GenericData
4835
4836	<	2004-10-21 15:25 chuckv
4836	>	2004-10-21 10:25 chuckv
4837
4838		* src/UseTheForce/DarkSide/: LJ.F90, eam.F90: Added newLJtype to lj
4839		module.
4840
4841	<	2004-10-21 15:24 chuckv
4841	>	2004-10-21 10:24 chuckv
4842
4843		* src/UseTheForce/DarkSide/lj_interface.h: Added interface for
4844		fortran lj module.
4845
4846	<	2004-10-20 22:54 tim
4846	>	2004-10-20 17:54 tim
4847
4848		* ChangeLog, src/utils/PropertyMap.cpp, src/utils/PropertyMap.hpp,
4849		test/utils/GenericDataTestCase.cpp, test/utils/Makefile,
#	Line 4177 \| Line 4851
4851		test/utils/PropertyMapTestCase.hpp, test/utils/UtilTest:
4852		GenericData and PropertyMap pass unit test.
4853
4854	<	2004-10-20 21:52 gezelter
4854	>	2004-10-20 16:52 gezelter
4855
4856		* src/UseTheForce/: DUFF.cpp, WATER.cpp, DarkSide/sticky.F90,
4857		DarkSide/sticky_interface.h: fixed a fortran name problem
4858
4859	<	2004-10-20 21:38 tim
4859	>	2004-10-20 16:38 tim
4860
4861		* test/utils/: GenericData.hpp, GenericDataTestCase.cpp,
4862		GenericDataTestCase.hpp, Makefile, PropertyMapTestCase.hpp,
4863		UtilTest, UtilTest.cpp: adding generic data test case
4864
4865	<	2004-10-20 21:16 chuckv
4865	>	2004-10-20 16:16 chuckv
4866
4867		* configure, ac-tools/aclocal.m4,
4868		src/UseTheForce/DarkSide/Makefile,
#	Line 4200 \| Line 4874
4874		Fortran/C++ interface de-obfuscation project appears to be
4875		complete! Woo hoo!
4876
4877	<	2004-10-20 20:47 chuckv
4877	>	2004-10-20 15:47 chuckv
4878
4879		* src/UseTheForce/: fortranWrapDefines.hpp, fortranWrappers.cpp,
4880		fortranWrappers.hpp: Fortran/C++ interface de-obfuscation project
4881		continues
4882
4883	<	2004-10-20 20:46 chuckv
4883	>	2004-10-20 15:46 chuckv
4884
4885		* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
4886		UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
#	Line 4223 \| Line 4897
4897		brains/SimInfo.cpp, brains/SimInfo.hpp: Fortran/C++ interface
4898		de-obfuscation project (It is a very long story)
4899
4900	<	2004-10-20 18:07 tim
4900	>	2004-10-20 13:07 tim
4901
4902		* ChangeLog, src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp,
4903		test/math/SquareMatrix3TestCase.cpp,
4904		test/math/SquareMatrixTestCase.cpp,
4905		test/math/SquareMatrixTestCase.hpp: Math library pass the unit test
4906
4907	<	2004-10-20 05:52 tim
4907	>	2004-10-20 00:52 tim
4908
4909		* src/brains/: Snapshot.hpp, SnapshotManager.hpp: Snapshot and
4910		SnapshotManager in design phase
4911
4912	<	2004-10-20 04:54 gezelter
4912	>	2004-10-19 23:54 gezelter
4913
4914		* src/: brains/SimSetup.cpp, utils/StringUtils.cpp: namespace
4915		problem prevented linking
4916
4917	<	2004-10-20 04:54 gezelter
4917	>	2004-10-19 23:54 gezelter
4918
4919		* src/UseTheForce/Shapes_FF.cpp: fixed include
4920
4921	<	2004-10-20 04:26 gezelter
4921	>	2004-10-19 23:26 gezelter
4922
4923		* src/utils/: Makefile, definitions.F90, definitions_module.F90,
4924		oopseMPI.F90, oopseMPI_module.F90, status.F90, status_module.F90:
4925		more fortran name mangling
4926
4927	<	2004-10-20 04:23 gezelter
4927	>	2004-10-19 23:23 gezelter
4928
4929		* src/profiling/timing.F90: yet more fortran renaming
4930
4931	<	2004-10-20 04:19 gezelter
4931	>	2004-10-19 23:19 gezelter
4932
4933		* src/UseTheForce/: Makefile, doForces.F90, doForces_interface.h,
4934		do_Forces.F90, do_Forces.h, notifyCutoffs.F90,
4935		notifyCutoffs_interface.h, notifycutoffs_module_interface.h,
4936		wrappers.F90: Fortran name cleanup continues
4937
4938	<	2004-10-20 04:12 gezelter
4938	>	2004-10-19 23:12 gezelter
4939
4940		* src/UseTheForce/DarkSide/: atype.F90, simulation.F90: fixing some
4941		broken fortran stuff
4942
4943	<	2004-10-20 04:02 gezelter
4943	>	2004-10-19 23:02 gezelter
4944
4945		* src/UseTheForce/DarkSide/: LJ.F90, Makefile, atype.F90,
4946		atype_interface.h, atype_module.F90, atype_module_interface.h,
#	Line 4283 \| Line 4957
4957		sticky_pair_module_interface.h, switch_module.F90, switcheroo.F90:
4958		name sanity on the fortran side
4959
4960	<	2004-10-20 00:18 tim
4960	>	2004-10-19 19:18 tim
4961
4962		* test/math/SquareMatrix3TestCase.hpp: [no log message]
4963
4964	<	2004-10-19 23:01 tim
4964	>	2004-10-19 18:01 tim
4965
4966		* src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
4967		src/math/SquareMatrix3.hpp, test/math/SquareMatrix3TestCase.cpp:
4968		except diagonalize(), all of functions in math library pass the
4969		test
4970
4971	<	2004-10-19 22:43 chuckv
4971	>	2004-10-19 17:43 chuckv
4972
4973		* src/UseTheForce/do_Forces.h: Added correct prototypes for
4974		C-fortran interface functions.
4975
4976	<	2004-10-19 22:37 chuckv
4976	>	2004-10-19 17:37 chuckv
4977
4978		* src/UseTheForce/DarkSide/: atype_module_interface.h,
4979		eam_module_inteface.h, gb_module_interface.h,
#	Line 4307 \| Line 4981
4981		sticky_pair_module_interface.h: Added correct prototypes for
4982		C-fortran interface functions.
4983
4984	<	2004-10-19 21:28 tim
4984	>	2004-10-19 16:28 tim
4985
4986		* ChangeLog, src/math/Quaternion.hpp, src/math/RectMatrix.hpp,
4987		src/math/SquareMatrix.hpp, src/math/Vector.hpp,
#	Line 4317 \| Line 4991
4991		test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp: more
4992		bugs get fixed at math library
4993
4994	<	2004-10-19 20:43 chuckv
4994	>	2004-10-19 15:43 chuckv
4995
4996		* src/UseTheForce/: DarkSide/atype_module_interface.h,
4997		DarkSide/eam_module_inteface.h, DarkSide/gb_module_interface.h,
#	Line 4331 \| Line 5005
5005		notifycutoffs_module_interface.h: Added new files for fortran
5006		interface.
5007
5008	<	2004-10-19 20:43 gezelter
5008	>	2004-10-19 15:43 gezelter
5009
5010		* src/UseTheForce/Makefile: regressing
5011
5012	<	2004-10-19 20:40 gezelter
5012	>	2004-10-19 15:40 gezelter
5013
5014		* src/: UseTheForce/DarkSide/calc_shapes.F90,
5015		UseTheForce/DarkSide/shapes_module.h, utils/StringUtils.cpp:
5016		working on shapes for portability
5017
5018	<	2004-10-19 20:40 gezelter
5018	>	2004-10-19 15:40 gezelter
5019
5020		* src/UseTheForce/: Makefile, Shapes_FF.cpp: working on shapes
5021
5022	<	2004-10-19 18:21 chrisfen
5022	>	2004-10-19 13:21 chrisfen
5023
5024		* src/utils/: StringUtils.cpp, StringUtils.hpp: changed around
5025		findBegin
5026
5027	<	2004-10-19 04:34 tim
5027	>	2004-10-18 23:34 tim
5028
5029		* src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp: more bugs
5030		are fixed in Vector class
5031
5032	<	2004-10-19 04:28 tim
5032	>	2004-10-18 23:28 tim
5033
5034		* test/math/: RectMatrixTestCase.cpp, RectMatrixTestCase.hpp: fix
5035		some bugs in RectMatrixTestCase
5036
5037	<	2004-10-19 04:21 tim
5037	>	2004-10-18 23:21 tim
5038
5039		* src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp,
5040		test/math/RectMatrixTestCase.hpp, test/math/Vector3TestCase.cpp,
5041		test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp,
5042		test/math/VectorTestCase.hpp: implement more test cases
5043
5044	<	2004-10-18 23:13 tim
5044	>	2004-10-18 18:13 tim
5045
5046		* ChangeLog, make/Doxyfile, src/math/Matrix3x3d.hpp,
5047		src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
#	Line 4376 \| Line 5050
5050		test/math/VectorTestCase.cpp, test/math/VectorTestCase.hpp: more
5051		tests on math library
5052
5053	<	2004-10-18 21:03 tim
5053	>	2004-10-18 16:03 tim
5054
5055		* test/math/: Makefile, QuaternionTestCase.cpp,
5056		QuaternionTestCase.hpp, RectMatrixTestCase.cpp,
#	Line 4384 \| Line 5058
5058		Vector3TestCase.hpp, VectorTestCase.cpp, VectorTestCase.hpp: adding
5059		more testing units
5060
5061	<	2004-10-18 17:07 tim
5061	>	2004-10-18 12:07 tim
5062
5063		* src/: brains/SimSetup.hpp, io/FileReader.hpp, math/Euler3.cpp,
5064		math/Euler3.hpp, math/Quaternion.hpp, math/SquareMatrix3.hpp,
5065		math/Vector3.hpp, types/ShapeType.cpp, types/ShapeType.hpp,
5066		utils/GenericFactory.hpp: fix some bugs in Quaternion class
5067
5068	<	2004-10-18 16:30 gezelter
5068	>	2004-10-18 11:30 gezelter
5069
5070		* src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp:
5071		Your basic run of the mill real-valued versions of Y_l^m(\theta,
5072		\phi)
5073
5074	<	2004-10-18 16:29 gezelter
5074	>	2004-10-18 11:29 gezelter
5075
5076		* src/: math/Makefile, math/Matrix3x3d.hpp, math/Vector3.hpp,
5077		types/Makefile, types/ShapeType.cpp, types/ShapeType.hpp,
5078		utils/StringUtils.cpp, utils/StringUtils.hpp: Working on getting
5079		Shapes into OOPSE
5080
5081	<	2004-10-18 15:21 gezelter
5081	>	2004-10-18 10:21 gezelter
5082
5083		* src/types/: ShapeType.cpp, ShapeType.hpp: Added ShapeType
5084
5085	<	2004-10-18 05:23 tim
5085	>	2004-10-18 00:23 tim
5086
5087		* test/math/VectorTestCase.hpp: adding vector test case
5088
5089	<	2004-10-18 05:23 tim
5089	>	2004-10-18 00:23 tim
5090
5091		* src/utils/GenericFactory.hpp: adding generic factory and vector
5092		test case
5093
5094	<	2004-10-17 01:19 tim
5094	>	2004-10-16 20:19 tim
5095
5096		* src/math/: Quaternion.hpp, RectMatrix.hpp, SquareMatrix.hpp,
5097		SquareMatrix3.hpp, Vector.hpp, Vector3.hpp: math library in
5098		progress
5099
5100	<	2004-10-16 01:31 tim
5100	>	2004-10-15 20:31 tim
5101
5102		* src/math/Quaternion.hpp: add quaternion class
5103
5104	<	2004-10-15 21:11 tim
5104	>	2004-10-15 16:11 tim
5105
5106		* test/io/: DUFF.frc, IfstrstreamTestCase.cpp,
5107		IfstrstreamTestCase.hpp: adding test file
5108
5109	<	2004-10-15 21:10 tim
5109	>	2004-10-15 16:10 tim
5110
5111		* src/io/basic_ifstrstream.hpp: fix a bunch of bugs
5112
5113	<	2004-10-15 20:42 tim
5113	>	2004-10-15 15:42 tim
5114
5115		* src/io/basic_ifstrstream.hpp: change const_cast to statc_const
5116
5117	<	2004-10-15 20:35 tim
5117	>	2004-10-15 15:35 tim
5118
5119		* src/io/basic_ifstrstream.hpp: fix a bug in basic_ifstrstream.hpp
5120
5121	<	2004-10-15 20:34 tim
5121	>	2004-10-15 15:34 tim
5122
5123		* test/io/: IfstrstreamTestCase.cpp, Makefile: forget to use
5124		namespace oopse
5125
5126	<	2004-10-15 19:38 chuckv
5126	>	2004-10-15 14:38 chuckv
5127
5128		* configure, ac-tools/aclocal.m4: Changed optimization flags for
5129		XLF and XLC.
5130
5131	<	2004-10-15 18:28 tim
5131	>	2004-10-15 13:28 tim
5132
5133		* test/io/: IfstrstreamTestCase.cpp, IfstrstreamTestCase.hpp:
5134		adding ifstrstream test case
5135
5136	<	2004-10-15 18:20 tim
5136	>	2004-10-15 13:20 tim
5137
5138		* src/io/basic_ifstrstream.hpp: fix include
5139
5140	<	2004-10-15 18:18 tim
5140	>	2004-10-15 13:18 tim
5141
5142		* src/math/SquareMatrix.hpp: fix incompatible declaration in jacobi
5143
5144	<	2004-10-15 18:17 tim
5144	>	2004-10-15 13:17 tim
5145
5146		* test/math/: Makefile, RectMatrixTestCase.cpp: adding Makefile
5147
5148	<	2004-10-15 18:16 tim
5148	>	2004-10-15 13:16 tim
5149
5150		* test/io/: Makefile, ifstrstreamTestCase.cpp,
5151		ifstrstreamTestCase.hpp: adding test case for ifstrstream
5152
5153	<	2004-10-15 15:37 tim
5153	>	2004-10-15 10:37 tim
5154
5155		* test/io/: IOTest.cpp, ifstrstreamTestCase.cpp,
5156		ifstrstreamTestCase.hpp: add ifstrstreamTestCase
5157
5158	<	2004-10-15 15:20 tim
5158	>	2004-10-15 10:20 tim
5159
5160		* src/io/basic_ifstrstream.hpp: add checkFilename Option
5161
5162	<	2004-10-15 15:19 tim
5162	>	2004-10-15 10:19 tim
5163
5164		* test/math/: RectMatrixTestCase.cpp, RectMatrixTestCase.hpp,
5165		SquareMatrixTestCase.cpp, SquareMatrixTestCase.hpp: add
5166		SquareMatrixTestCase class
5167
5168	<	2004-10-15 07:52 tim
5168	>	2004-10-15 02:52 tim
5169
5170		* src/io/basic_ifstrstream.hpp: adding basic_ifstrstream
5171
5172	<	2004-10-14 23:28 tim
5172	>	2004-10-14 18:28 tim
5173
5174		* src/math/: RectMatrix.hpp, SquareMatrix.hpp, SquareMatrix3.hpp,
5175		Vector.hpp: math library in progress
5176
5177	<	2004-10-14 23:27 tim
5177	>	2004-10-14 18:27 tim
5178
5179		* src/io/FileReader.hpp: FileReader in progress
5180
5181	<	2004-10-13 23:53 tim
5181	>	2004-10-13 18:53 tim
5182
5183		* src/math/: RectMatrix.hpp, SquareMatrix.hpp: Matrix in progress,
5184		test in isOrthogonal of SquareMatrix is failed by some reasons
5185
5186	<	2004-10-13 22:28 tim
5186	>	2004-10-13 17:28 tim
5187
5188		* src/utils/: PropertyMap.cpp, PropertyMap.hpp: adding PropertyMap
5189		class
5190
5191	<	2004-10-13 22:27 tim
5191	>	2004-10-13 17:27 tim
5192
5193		* test/math/: MainTest.cpp, RectMatrixTestCase.cpp,
5194		RectMatrixTestCase.hpp: adding testing unit
5195
5196	<	2004-10-13 22:24 tim
5196	>	2004-10-13 17:24 tim
5197
5198		* src/math/: RectMatrix.hpp, Vector.hpp: adding RectMatrix
5199
5200	<	2004-10-13 06:51 tim
5200	>	2004-10-13 01:51 tim
5201
5202		* src/math/: SquareMatrix.hpp, SquareMatrix3.hpp, Vector.hpp,
5203		Vector3.hpp: refactory vector and matrix classes
5204
5205	<	2004-10-13 06:50 tim
5205	>	2004-10-13 01:50 tim
5206
5207		* src/math/Vector3d.hpp: Remove some Makefile.in
5208
5209	<	2004-10-12 23:57 tim
5209	>	2004-10-12 18:57 tim
5210
5211		* src/math/: Matrix3x3d.hpp, Vector3d.hpp: add Vector3d.hpp and
5212		Matrix3x3d.hpp
5213
5214	<	2004-10-12 19:08 tim
5214	>	2004-10-12 14:08 tim
5215
5216		* doc/: cppstyle.html, style.css: adding c++ coding style
5217
5218	<	2004-10-11 22:15 tim
5218	>	2004-10-11 17:15 tim
5219
5220		* src/: constraints/AbstractClasses.hpp,
5221		integrators/AbstractClasses.hpp, primitives/AbstractClasses.hpp:
5222		change #include "mpi.h" to #include <mpi.h> in AbstractClasses.hpp
5223
5224	<	2004-10-11 21:54 tim
5224	>	2004-10-11 16:54 tim
5225
5226		* scripts/filepp: fix a bug in filepp
5227
5228	<	2004-10-11 21:13 tim
5228	>	2004-10-11 16:13 tim
5229
5230		* make/Makefile.in: using filepp to generate dependencies instead
5231		of compilers
5232
5233	<	2004-10-11 21:10 tim
5233	>	2004-10-11 16:10 tim
5234
5235		* scripts/filepp: filepp can be used to generate dependencies for
5236		c/c++ now
5237
5238	<	2004-10-11 18:40 tim
5238	>	2004-10-11 13:40 tim
5239
5240		* make/Makefile.in: remove -module from F90Options
5241
5242	<	2004-10-11 18:01 tim
5242	>	2004-10-11 13:01 tim
5243
5244		* make/Makefile.in: adding rules to move fortran 90 module to
5245		target directory
5246
5247	<	2004-10-11 15:43 gezelter
5247	>	2004-10-11 10:43 gezelter
5248
5249		* make/Makefile.in: fixed makefile.in
5250
5251	<	2004-10-11 14:51 tim
5251	>	2004-10-11 09:51 tim
5252
5253		* scripts/filepp: remove "use bytes" which causes problem in sgi
5254		machine
5255
5256	<	2004-10-11 14:26 tim
5256	>	2004-10-11 09:26 tim
5257
5258		* forceFields/Makefile: add Makefile
5259
5260	<	2004-10-11 14:23 tim
5260	>	2004-10-11 09:23 tim
5261
5262		* samples/: water/dimer/Makefile, water/spce/Makefile,
5263		water/ssd/Makefile, water/ssde/Makefile, water/tip3p_ice/Makefile,
5264		water/tip4p/Makefile, zcons/Makefile: fix Makefile under water
5265		directory
5266
5267	<	2004-10-09 06:01 tim
5267	>	2004-10-11 09:23 tim
5268
5269	<	* samples/: alkane/Makefile.in, lipid/Makefile.in,
5270	<	metals/Makefile.in, minimizer/Makefile.in: Remove some Makefile.in
5269	>	* samples/argon/Makefile: remove argon.dump and argon.eor from
5270	>	Makefile
5271
5272	<	2004-10-08 23:15 tim
5272	>	2004-10-09 01:01 tim
5273
5274	+	* samples/: alkane/Makefile.in, argon/Makefile.in,
5275	+	lipid/Makefile.in, metals/Makefile.in, minimizer/Makefile.in:
5276	+	Remove some Makefile.in
5277	+
5278	+	2004-10-08 18:15 tim
5279	+
5280		* make/Makefile.in: [no log message]
5281
5282	<	2004-10-08 22:51 tim
5282	>	2004-10-08 17:51 tim
5283
5284		* make/Makefile.in: fix make install
5285
5286	<	2004-10-08 22:10 tim
5286	>	2004-10-08 17:10 tim
5287
5288		* make/Makefile.in: adding make install
5289
5290	<	2004-10-08 22:04 tim
5290	>	2004-10-08 17:04 tim
5291
5292	<	* samples/: alkane/Makefile, lipid/Makefile, metals/Makefile,
5293	<	minimizer/Makefile, water/Makefile.in, water/dimer/Makefile,
5294	<	water/dimer/Makefile.in, water/spce/Makefile,
5292	>	* samples/: alkane/Makefile, argon/Makefile, lipid/Makefile,
5293	>	metals/Makefile, minimizer/Makefile, water/Makefile.in,
5294	>	water/dimer/Makefile, water/dimer/Makefile.in, water/spce/Makefile,
5295		water/spce/Makefile.in, water/ssd/Makefile, water/ssd/Makefile.in,
5296		water/ssde/Makefile, water/ssde/Makefile.in,
5297		water/tip3p_ice/Makefile, water/tip3p_ice/Makefile.in,
5298		water/tip4p/Makefile, water/tip4p/Makefile.in, zcons/Makefile,
5299		zcons/Makefile.in: add Makefile to sample directory
5300
5301	<	2004-10-06 23:03 gezelter
5301	>	2004-10-06 18:03 gezelter
5302
5303		* src/utils/: getopt.c, getopt1.c, gnugetopt.h: moved the getopt
5304		stuff
5305
5306	<	2004-10-06 23:03 gezelter
5306	>	2004-10-06 18:03 gezelter
5307
5308		* configure, ac-tools/aclocal.m4, ac-tools/configure.in,
5309		make/Doxyfile, src/applications/getopt.c,
5310		src/applications/getopt1.c, src/applications/gnugetopt.h: more
5311		build fixes
5312
5313	<	2004-10-06 22:20 tim
5313	>	2004-10-06 17:20 tim
5314
5315		* make/: Doxyfile, Makefile.in: adding doxygen configuration file
5316
5317	<	2004-10-06 22:19 tim
5317	>	2004-10-06 17:19 tim
5318
5319		* scripts/filepp: filepp can handle different fortran module case
5320		and suffix
5321
5322	<	2004-10-06 21:27 gezelter
5322	>	2004-10-06 16:27 gezelter
5323
5324		* src/restraints/Restraints.cpp: Chris doesn't know about the
5325		OOPSE-2.0 directory structure yet
5326
5327	<	2004-10-06 21:27 gezelter
5327	>	2004-10-06 16:27 gezelter
5328
5329		* ChangeLog: Yeah yeah, we'lll get around to it later
5330
5331	<	2004-10-06 21:22 gezelter
5331	>	2004-10-06 16:22 gezelter
5332
5333		* configure, ac-tools/configure.in, ac-tools/fortran90.m4,
5334		make/Makefile.in: cleaning up build process
5335
5336	<	2004-10-06 20:01 chrisfen
5336	>	2004-10-06 15:01 chrisfen
5337
5338		* src/restraints/Restraints.cpp: made the file reading in
5339		restraints more intelligent - no longer gives uninformative seg
5340		faults
5341
5342	<	2004-10-06 19:55 gezelter
5342	>	2004-10-06 14:55 gezelter
5343
5344		* src/applications/simpleBuilder/Make.ftemp.old: cleaning up
5345
5346	<	2004-10-06 19:51 gezelter
5346	>	2004-10-06 14:51 gezelter
5347
5348		* LICENSE, MPIobj/dummy, make/Makefile, obj/dummy,
5349		scripts/cleanSrc, src/brains/Makedepend: Cleaning up a bit
5350
5351	<	2004-10-06 18:53 tim
5351	>	2004-10-06 13:53 tim
5352
5353		* make/: Makefile, Makefile.in: fix make statistics
5354
5355	<	2004-10-06 18:18 tim
5355	>	2004-10-06 13:18 tim
5356
5357		* make/: Makefile, Makefile.in: adding GNU make functions to
5358		combine all of the static libraries to a big library
5359
5360	<	2004-10-05 22:57 tim
5360	>	2004-10-05 17:57 tim
5361
5362		* make/: Makefile, Makefile.in: adding shared library flag
5363
5364	<	2004-10-05 19:37 tim
5364	>	2004-10-05 14:37 tim
5365
5366		* src/: Makefile, UseTheForce/Makefile,
5367		UseTheForce/mpiSimulation_module.F90,
#	Line 4689 \| Line 5369
5369		UseTheForce/DarkSide/mpiSimulation_module.F90, math/Makefile: move
5370		mpiSimulation_module to DarkSide
5371
5372	<	2004-10-05 19:35 tim
5372	>	2004-10-05 14:35 tim
5373
5374		* make/: Makefile, Makefile.in: building MPI version;using static
5375		library instead of shared library
5376
5377	<	2004-10-05 14:14 tim
5377	>	2004-10-05 09:14 tim
5378
5379		* make/: Makefile, Makefile.in: pass __FORTRAN90 instead of __F90
5380		to filepp
5381
5382	<	2004-10-04 20:56 tim
5382	>	2004-10-04 15:56 tim
5383
5384		* make/: Makefile, Makefile.in: add make cvslog
5385
5386	<	2004-10-04 16:24 gezelter
5386	>	2004-10-04 11:24 gezelter
5387
5388		* make/: Makefile, Makefile.in: more work on the parallel build
5389
5390	<	2004-10-04 16:06 gezelter
5390	>	2004-10-04 11:06 gezelter
5391
5392		* make/: Makefile, Makefile.in: changes to backport declare flags
5393
5394	<	2004-10-04 15:27 gezelter
5394	>	2004-10-04 10:27 gezelter
5395
5396		* src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp,
5397		DarkSide/Makefile, DarkSide/calc_shapes.F90: Started work merging
5398		shapes
5399
5400	<	2004-10-02 04:40 tim
5400	>	2004-10-01 23:40 tim
5401
5402		* scripts/: filepp, sfmakedepend: remove sfmakedepend from cvs tree
5403
5404	<	2004-10-02 04:22 tim
5404	>	2004-10-01 23:22 tim
5405
5406		* make/: Makefile, Makefile.in: add oopse_ as library prefix
5407
5408	<	2004-10-01 21:59 tim
5408	>	2004-10-01 16:59 tim
5409
5410		* make/: Makefile, Makefile.in: fix a space trimming bug in filepp
5411
5412	<	2004-10-01 21:22 gezelter
5412	>	2004-10-01 16:22 gezelter
5413
5414		* Makefile, ac-tools/aclocal.m4, make/Makefile, make/Makefile.in: A
5415		few minor build changes
5416
5417	<	2004-10-01 21:11 tim
5417	>	2004-10-01 16:11 tim
5418
5419		* scripts/filepp: adding fortran90 make dependency tool
5420
5421	<	2004-09-30 15:41 tim
5421	>	2004-09-30 10:41 tim
5422
5423		* make/: Makefile, Makefile.in: make clean is smart enough to only
5424		remove object files belong to current package. turn off silent
5425		mode
5426
5427	<	2004-09-29 21:55 tim
5427	>	2004-09-29 16:55 tim
5428
5429		* src/: Makefile, UseTheForce/Makefile,
5430		UseTheForce/DarkSide/Makefile, applications/dump2Xyz/Makefile,
#	Line 4755 \| Line 5435
5435		restraints/Makefile, types/Makefile, utils/Makefile,
5436		visitors/Makefile: define DEV_ROOT as relative path
5437
5438	<	2004-09-29 21:54 tim
5438	>	2004-09-29 16:54 tim
5439
5440		* make/: Makefile, Makefile.in: get the relative path by shell
5441		script
5442
5443	<	2004-09-29 21:32 tim
5443	>	2004-09-29 16:32 tim
5444
5445		* make/Makefile: eliminate DEV_ROOT by relative path
5446
5447	<	2004-09-29 18:37 tim
5447	>	2004-09-29 13:37 tim
5448
5449		* make/Makefile.in: add PackageLibs; fix dependency rule
5450
5451	<	2004-09-29 17:57 gezelter
5451	>	2004-09-29 12:57 gezelter
5452
5453		* configure, ac-tools/configure.in: updates
5454
5455	<	2004-09-29 17:56 gezelter
5455	>	2004-09-29 12:56 gezelter
5456
5457	<	* make/: Make.conf.in, Makefile.in, _files/style.css: Working on
4778	<	make stuff
5457	>	* make/: Make.conf.in, Makefile.in: Working on make stuff
5458
5459	<	2004-09-29 17:46 tim
5459	>	2004-09-29 12:46 tim
5460
5461		* Makefile: If makefile does not exist, print error message
5462
5463	<	2004-09-29 17:12 tim
5463	>	2004-09-29 12:12 tim
5464
5465		* make/: Make.conf.in, Makefile: fix dependencies rule
5466
5467	<	2004-09-29 15:58 gezelter
5467	>	2004-09-29 10:58 gezelter
5468
5469		* Makefile, make/Makefile: still working on build process
5470
5471	<	2004-09-29 15:00 tim
5471	>	2004-09-29 10:00 tim
5472
5473		* make/Makefile: add print statment to rules
5474
5475	<	2004-09-29 14:59 tim
5475	>	2004-09-29 09:59 tim
5476
5477		* src/: UseTheForce/Makefile, UseTheForce/DarkSide/Makefile,
5478		applications/dump2Xyz/Makefile, applications/oopse/Makefile,
#	Line 4803 \| Line 5482
5482		profiling/Makefile, restraints/Makefile, types/Makefile,
5483		utils/Makefile, visitors/Makefile: change Makefile to relative path
5484
5485	<	2004-09-29 02:55 tim
5485	>	2004-09-28 21:55 tim
5486
5487		* src/utils/: StringUtils.c, StringUtils.h: remove StringUtils.c
5488		which cause headache in bulding libutils
5489
5490	<	2004-09-28 23:24 tim
5490	>	2004-09-28 18:24 tim
5491
5492		* src/applications/: BaseLattice.cpp, BaseLattice.hpp,
5493		Dump2XYZ.cpp, Dump2XYZ.ggo, Dump2XYZCmd.c, Dump2XYZCmd.h,
#	Line 4831 \| Line 5510
5510		change directory structure of application. Every executable file is
5511		replaced in seperate directory
5512
5513	<	2004-09-28 22:15 gezelter
5513	>	2004-09-28 17:15 gezelter
5514
5515		* lib/dummy: Keep that lib around, please.
5516
5517	<	2004-09-28 22:14 gezelter
5517	>	2004-09-28 17:14 gezelter
5518
5519		* Makefile, configure, ac-tools/configure.in, make/Make.conf.in:
5520		starting a configure version
5521
5522	<	2004-09-28 21:08 tim
5522	>	2004-09-28 16:08 tim
5523
5524		* src/: UseTheForce/Makefile, UseTheForce/notifyCutoffs.F90,
5525		UseTheForce/DarkSide/Makefile,
#	Line 4849 \| Line 5528
5528		brains/Makefile, brains/simulation_module.F90: move fortran files
5529		around to solve dependency problem
5530
5531	<	2004-09-28 20:43 tim
5531	>	2004-09-28 15:43 tim
5532
5533		* Makefile, src/UseTheForce/ForceFields.hpp,
5534		src/UseTheForce/Makefile, src/applications/BaseLattice.hpp,
#	Line 4859 \| Line 5538
5538		src/math/Makefile, src/minimizers/OOPSEMinimizer.cpp,
5539		src/utils/Makefile: [no log message]
5540
5541	<	2004-09-28 20:41 tim
5541	>	2004-09-28 15:41 tim
5542
5543		* make/Makefile, scripts/sfmakedepend: fix fortran dependency
5544		problem
5545
5546	<	2004-09-28 16:13 tim
5546	>	2004-09-28 11:13 tim
5547
5548		* make/Makefile, src/io/BASSlex.l, src/io/BASSyacc.y,
5549		src/io/Makefile: add yacc and lex rules
5550
5551	<	2004-09-27 20:24 tim
5551	>	2004-09-27 15:24 tim
5552
5553		* make/Makefile: adding include path to F90Options
5554
5555	<	2004-09-27 20:13 tim
5555	>	2004-09-27 15:13 tim
5556
5557		* make/Makefile: change suffix from .cc to .cpp
5558
5559	<	2004-09-24 16:27 tim
5559	>	2004-09-24 11:27 tim
5560
5561		* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
5562		UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
#	Line 4944 \| Line 5623
5623		visitors/RigidBodyVisitor.hpp, visitors/ZconsVisitor.cpp,
5624		visitors/ZconsVisitor.hpp: change the #include in source files
5625
5626	<	2004-09-24 04:16 gezelter
5626	>	2004-09-23 23:16 gezelter
5627
5628		* AUTHORS, ChangeLog, LICENSE, Makefile, README, configure,
5629		src/Makefile, src/config.h.in, src/constraints/AbstractClasses.hpp,
#	Line 5041 \| Line 5720
5720		src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
5721		src/visitors/RigidBodyVisitor.cpp,
5722		src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
5723	<	src/visitors/ZconsVisitor.hpp, make/Makefile,
5045	<	make/_files/style.css, samples/Makefile.in,
5723	>	src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
5724		samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
5725		samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
5726		samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
#	Line 5090 \| Line 5768
5768		samples/water/tip4p/tp4.md, samples/water/tip4p/water.md,
5769		samples/alkane/Makefile.in, samples/alkane/alkanes.md,
5770		samples/alkane/butane.in, samples/alkane/butane.md,
5771	+	samples/argon/500.in, samples/argon/500.md,
5772	+	samples/argon/Makefile.in, samples/argon/ar864.in,
5773	+	samples/argon/ar864.md, samples/argon/argonNVT.in,
5774	+	samples/argon/argonNVT.md, samples/argon/lj.md,
5775		samples/lipid/5x5.in, samples/lipid/5x5.md,
5776		samples/lipid/Makefile.in, samples/lipid/lipid.md,
5777		samples/lipid/water.md, samples/minimizer/Makefile.in,
#	Line 5116 \| Line 5798
5798		forceFields/Ni.VC.funcfl, forceFields/Pd.u3.funcfl,
5799		forceFields/Pt.VC.funcfl: Import of OOPSE v. 2.0
5800
5801	<	2004-09-24 04:16 gezelter
5801	>	2004-09-23 23:16 gezelter
5802
5803		* AUTHORS, ChangeLog, LICENSE, Makefile, README, configure,
5804		src/Makefile, src/config.h.in, src/constraints/AbstractClasses.hpp,
#	Line 5213 \| Line 5895
5895		src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
5896		src/visitors/RigidBodyVisitor.cpp,
5897		src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
5898	<	src/visitors/ZconsVisitor.hpp, make/Makefile,
5217	<	make/_files/style.css, samples/Makefile.in,
5898	>	src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
5899		samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
5900		samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
5901		samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
#	Line 5262 \| Line 5943
5943		samples/water/tip4p/tp4.md, samples/water/tip4p/water.md,
5944		samples/alkane/Makefile.in, samples/alkane/alkanes.md,
5945		samples/alkane/butane.in, samples/alkane/butane.md,
5946	+	samples/argon/500.in, samples/argon/500.md,
5947	+	samples/argon/Makefile.in, samples/argon/ar864.in,
5948	+	samples/argon/ar864.md, samples/argon/argonNVT.in,
5949	+	samples/argon/argonNVT.md, samples/argon/lj.md,
5950		samples/lipid/5x5.in, samples/lipid/5x5.md,
5951		samples/lipid/Makefile.in, samples/lipid/lipid.md,
5952		samples/lipid/water.md, samples/minimizer/Makefile.in,

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Comparing trunk/OOPSE-3.0/ChangeLog (file contents): Revision 2116 by tim, Fri Mar 11 15:00:20 2005 UTC vs. Revision 2205 by gezelter, Fri Apr 15 22:22:10 2005 UTC

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Comparing trunk/OOPSE-3.0/ChangeLog (file contents):
Revision 2116 by tim, Fri Mar 11 15:00:20 2005 UTC vs.
Revision 2205 by gezelter, Fri Apr 15 22:22:10 2005 UTC