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Comparing trunk/OOPSE-2.0/ChangeLog (file contents):
Revision 2204 by gezelter, Thu Apr 14 21:41:56 2005 UTC vs.
Revision 2205 by gezelter, Fri Apr 15 22:22:10 2005 UTC

# Line 1 | Line 1
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

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