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Comparing trunk/OOPSE-2.0/ChangeLog (file contents):
Revision 2205 by gezelter, Fri Apr 15 22:22:10 2005 UTC vs.
Revision 2229 by chrisfen, Tue May 17 22:35:01 2005 UTC

# Line 1 | Line 1
1 + 2005-05-16 23:20  chuckv
2 +
3 +        * src/types/: DirectionalAtomType.cpp, DirectionalAtomType.hpp:
4 +        Fixed merge issues between Kyle and Chris so OOPSE will actually
5 +        build.
6 +
7 + 2005-05-16 22:46  kdaily
8 +
9 +        * src/io/: GayBerneAtomTypesSectionParser.cpp,
10 +        GayBerneAtomTypesSectionParser.hpp, Makefile: help
11 +
12 + 2005-05-16 21:08  kdaily
13 +
14 +        * forceFields/DUFF2.frc, src/UseTheForce/doForces.F90,
15 +        src/UseTheForce/DarkSide/gb.F90, src/io/Makefile,
16 +        src/types/DirectionalAtomType.cpp,
17 +        src/types/DirectionalAtomType.hpp: added gb
18 +
19 + 2005-05-13 15:36  chrisfen
20 +
21 +        * forceFields/DUFF2.frc: Better tap
22 +
23 + 2005-05-12 14:43  chrisfen
24 +
25 +        * forceFields/DUFF2.frc, samples/water/dimer/ssd.in,
26 +        samples/water/dimer/ssd.md, src/UseTheForce/DarkSide/sticky.F90,
27 +        src/applications/dump2Xyz/Dump2XYZ.cpp,
28 +        src/visitors/AtomVisitor.hpp: Couple of changes for TAP water.
29 +        Need to parametrize.
30 +
31 + 2005-05-11 18:15  chuckv
32 +
33 +        * src/: io/ShapeAtomTypesSectionParser.cpp,
34 +        math/RealSphericalHarmonic.cpp, utils/CaseConversion.hpp: Fixed
35 +        build issues under ifc7.
36 +
37 + 2005-05-09 17:07  chuckv
38 +
39 +        * src/applications/nanoRodBuilder/Geometry.hpp: More geometry
40 +        builder changes.
41 +
42 + 2005-05-05 10:06  chrisfen
43 +
44 +        * forceFields/DUFF2.frc, samples/water/ssde/water.md: Changed SHED
45 +        to TAP
46 +
47 + 2005-05-05 09:47  chrisfen
48 +
49 +        * forceFields/DUFF2.frc, samples/water/ssde/ssde.md,
50 +        samples/water/ssde/water.md, src/UseTheForce/DUFF.cpp,
51 +        src/UseTheForce/doForces.F90, src/UseTheForce/DarkSide/Makefile,
52 +        src/UseTheForce/DarkSide/atype.F90,
53 +        src/UseTheForce/DarkSide/atype_interface.F90,
54 +        src/UseTheForce/DarkSide/simulation.F90,
55 +        src/UseTheForce/DarkSide/sticky.F90, src/brains/SimInfo.cpp,
56 +        src/brains/fSimulation.h, src/io/Makefile,
57 +        src/io/StickyAtomTypesSectionParser.cpp,
58 +        src/io/StickyPowerAtomTypesSectionParser.cpp,
59 +        src/io/StickyPowerAtomTypesSectionParser.hpp,
60 +        src/types/AtomType.cpp, src/types/AtomType.hpp,
61 +        src/types/AtomTypeProperties.h, src/types/DirectionalAtomType.cpp,
62 +        src/types/DirectionalAtomType.hpp: OOPSE setup for TAP water.  It's
63 +        not parametrized, but OOPSE will now let me run it...
64 +
65 + 2005-05-03 17:55  chuckv
66 +
67 +        * src/applications/nanoRodBuilder/: Geometry.cpp, Geometry.hpp,
68 +        GeometryCreator.hpp, GeometryFactory.cpp, GeometryFactory.hpp:
69 +        Adding support for generic geometry to nanorodbuilder.
70 +
71 + 2005-05-03 12:55  chuckv
72 +
73 +        * src/applications/nanoRodBuilder/: GeometryBuilder.cpp,
74 +        nanorodBuilder.cpp, nanorodBuilder.ggo, nanorodBuilderCmd.c,
75 +        nanorodBuilderCmd.h: More changes to nanoRodBuilder....
76 +
77 + 2005-04-29 14:16  gezelter
78 +
79 +        * make/Makefile.in: [no log message]
80 +
81 + 2005-04-29 11:26  chrisfen
82 +
83 +        * forceFields/DUFF2.frc, samples/water/spce/water.md,
84 +        samples/water/ssd/water.md, samples/water/ssd-ion/ssdCl.md,
85 +        samples/water/ssd-ion/water.md, samples/water/ssde/water.md,
86 +        samples/water/ssdrf/water.md, samples/water/tip3p_ice/water.md,
87 +        samples/water/tip4p/water.md: Added TIP4P-Ew
88 +
89 + 2005-04-27 19:24  chuckv
90 +
91 +        * src/applications/nanoRodBuilder/: GeometryBuilder.cpp,
92 +        GeometryBuilder.hpp, nanorodBuilder.cpp, nanorodBuilder.ggo,
93 +        nanorodBuilderCmd.c, nanorodBuilderCmd.h: Fixed issues with
94 +        nanoRodBuilder....
95 +
96 + 2005-04-27 15:13  chrisfen
97 +
98 +        * samples/shape/Shapes.frc, samples/shape/linear.shape,
99 +        src/UseTheForce/DarkSide/atype.F90,
100 +        src/UseTheForce/DarkSide/shapes.F90,
101 +        src/UseTheForce/DarkSide/shapes_interface.F90,
102 +        src/types/AtomType.cpp, src/types/ShapeAtomType.cpp: Got rid of
103 +        write statements and am closer to a working shapes
104 +
105 + 2005-04-22 16:57  chuckv
106 +
107 +        * src/utils/Predicate.hpp: Fixed gcc4 bug...
108 +
109 + 2005-04-22 16:52  tim
110 +
111 +        * src/utils/: CaseConversion.hpp, Predicate.hpp, Trim.cpp,
112 +        Trim.hpp: adding CharClassificationFunctor to fix the locale
113 +        problem  of c++
114 +
115 + 2005-04-21 09:12  chrisfen
116 +
117 +        * samples/shape/Shapes.frc, samples/shape/linear.in,
118 +        samples/shape/linear.md, src/UseTheForce/ForceField.hpp,
119 +        src/UseTheForce/ForceFieldFactory.hpp, src/UseTheForce/Makefile,
120 +        src/UseTheForce/SHAPES_FF.cpp, src/UseTheForce/SHAPES_FF.hpp,
121 +        src/UseTheForce/doForces.F90, src/UseTheForce/DarkSide/atype.F90,
122 +        src/UseTheForce/DarkSide/shapes.F90,
123 +        src/UseTheForce/DarkSide/shapes_interface.F90,
124 +        src/UseTheForce/DarkSide/shapes_interface.h,
125 +        src/brains/Register.cpp, src/brains/SimCreator.cpp,
126 +        src/io/Makefile, src/io/SectionParser.cpp,
127 +        src/io/SectionParser.hpp, src/io/SectionParserManager.cpp,
128 +        src/io/ShapeAtomTypesSectionParser.cpp,
129 +        src/io/ShapeAtomTypesSectionParser.hpp, src/math/Makefile,
130 +        src/types/AtomType.cpp, src/types/ShapeAtomType.cpp,
131 +        src/types/ShapeAtomType.hpp: Shapes is limping along with a array
132 +        bounds overwrite (I think...). At least the parser loads the
133 +        forcefield fine...
134 +
135 + 2005-04-18 10:44  chrisfen
136 +
137 +        * src/UseTheForce/Shapes_FF.cpp: axed because file causes havoc on
138 +        Mac (capitalization confusion of filenames)
139 +
140 + 2005-04-17 22:50  chrisfen
141 +
142 +        * src/: UseTheForce/SHAPES_FF.cpp, UseTheForce/SHAPES_FF.hpp,
143 +        UseTheForce/Shapes_FF.cpp,
144 +        io/DirectionalAtomTypesSectionParser.cpp,
145 +        io/ShapeAtomTypesSectionParser.cpp,
146 +        io/ShapeAtomTypesSectionParser.hpp: Working on the shapes parser...
147 +
148 + 2005-04-15 17:43  gezelter
149 +
150 +        * README: gmake in case people forget
151 +
152 + 2005-04-15 17:40  gezelter
153 +
154 +        * src/applications/oopse/oopse.cpp: fixed the spacing on the
155 +        banner.  Vanity.
156 +
157 + 2005-04-15 17:22  gezelter
158 +
159 +        * src/: config.h.in, applications/oopse/oopse.cpp: Version string
160 +        in banner (and version numbers in config.h)
161 +
162 + 2005-04-15 17:22  gezelter
163 +
164 +        * ChangeLog, LICENSE, README: Documentation changes
165 +
166   2005-04-15 17:03  gezelter
167  
168          * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,

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