1 |
+ |
2004-10-28 14:06 tim |
2 |
+ |
|
3 |
+ |
* ChangeLog, src/applications/simpleBuilder/MoLocator.hpp, |
4 |
+ |
src/applications/simpleBuilder/simpleBuilder.cpp, |
5 |
+ |
src/utils/next_combination.hpp, test/utils/Makefile, |
6 |
+ |
test/utils/NextCombinationTestCase.cpp, |
7 |
+ |
test/utils/ReplaceWildCardTestCase.cpp, |
8 |
+ |
test/utils/next_combination.hpp: STL next_permutation like |
9 |
+ |
next_combination is working |
10 |
+ |
|
11 |
+ |
2004-10-28 12:22 chrisfen |
12 |
+ |
|
13 |
+ |
* src/UseTheForce/WATER.cpp: fix of setDipoles |
14 |
+ |
|
15 |
+ |
2004-10-28 12:20 gezelter |
16 |
+ |
|
17 |
+ |
* src/UseTheForce/Shapes_FF.cpp: forgot to advance lines in the |
18 |
+ |
shapeFile |
19 |
+ |
|
20 |
+ |
2004-10-28 12:20 gezelter |
21 |
+ |
|
22 |
+ |
* samples/shape/linear.md: forgot the orientation line |
23 |
+ |
|
24 |
+ |
2004-10-28 11:56 gezelter |
25 |
+ |
|
26 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
27 |
+ |
UseTheForce/ForceFields.hpp, UseTheForce/LJFF.cpp, |
28 |
+ |
UseTheForce/WATER.cpp, types/AtomType.cpp: fixed duplicate |
29 |
+ |
declaration foo |
30 |
+ |
|
31 |
+ |
2004-10-28 11:55 gezelter |
32 |
+ |
|
33 |
+ |
* samples/lipid/5x5.md: uncommented .in line |
34 |
+ |
|
35 |
+ |
2004-10-28 10:42 tim |
36 |
+ |
|
37 |
+ |
* test/utils/: Makefile, NextCombinationTestCase.cpp, |
38 |
+ |
NextCombinationTestCase.hpp, next_combination.hpp: next_combination |
39 |
+ |
in progress |
40 |
+ |
|
41 |
+ |
2004-10-28 10:15 tim |
42 |
+ |
|
43 |
+ |
* test/utils/: NextCombinationTestCase.cpp, |
44 |
+ |
NextCombinationTestCase.hpp: adding next_combination test case |
45 |
+ |
|
46 |
+ |
2004-10-28 10:02 tim |
47 |
+ |
|
48 |
+ |
* test/utils/next_combination.hpp: STL Compatible combination |
49 |
+ |
sequence generator |
50 |
+ |
|
51 |
+ |
2004-10-28 01:23 tim |
52 |
+ |
|
53 |
+ |
* test/utils/: GenerateCombination.hpp, |
54 |
+ |
ReplaceWildCardTestCase.cpp: bug fixed in GenerateCombination.hpp |
55 |
+ |
|
56 |
+ |
2004-10-28 01:16 tim |
57 |
+ |
|
58 |
+ |
* test/utils/GenerateCombination.hpp: a STL next_permutaion like |
59 |
+ |
next_combination function. |
60 |
+ |
|
61 |
+ |
2004-10-27 22:27 tim |
62 |
+ |
|
63 |
+ |
* test/utils/ReplaceWildCard.hpp: no message |
64 |
+ |
|
65 |
+ |
2004-10-27 22:14 tim |
66 |
+ |
|
67 |
+ |
* test/utils/: ReplaceWildCard.hpp, ReplaceWildCardTestCase.cpp: |
68 |
+ |
ReplaceWildCard(recursive version) is working, need refactoring. An |
69 |
+ |
iterative version is on the way |
70 |
+ |
|
71 |
+ |
2004-10-27 21:28 tim |
72 |
+ |
|
73 |
+ |
* test/utils/: Makefile, ReplaceWildCard.hpp, |
74 |
+ |
ReplaceWildCardTestCase.cpp: ReplaceWildCard in progress |
75 |
+ |
|
76 |
+ |
2004-10-27 21:08 tim |
77 |
+ |
|
78 |
+ |
* test/utils/: ReplaceWildCardTestCase.cpp, |
79 |
+ |
ReplaceWildCardTestCase.hpp: Adding Test Case for ReplaceWildCard |
80 |
+ |
|
81 |
+ |
2004-10-27 18:17 tim |
82 |
+ |
|
83 |
+ |
* test/utils/ReplaceWildCard.hpp: adding ReplaceWildCard.hpp, need |
84 |
+ |
test |
85 |
+ |
|
86 |
+ |
2004-10-27 01:25 tim |
87 |
+ |
|
88 |
+ |
* src/utils/TupleMatcher.hpp: Adding Generic TupleMatcher, wild |
89 |
+ |
char matching is on the way |
90 |
+ |
|
91 |
+ |
2004-10-27 01:07 tim |
92 |
+ |
|
93 |
+ |
* src/utils/Tuple.hpp: Adding Generic Tuple3 and Tuple4 |
94 |
+ |
|
95 |
+ |
2004-10-26 22:00 gezelter |
96 |
+ |
|
97 |
+ |
* src/UseTheForce/: EAM_FF.cpp, ForceFields.hpp: bug fix |
98 |
+ |
|
99 |
+ |
2004-10-26 21:20 gezelter |
100 |
+ |
|
101 |
+ |
* src/UseTheForce/ForceFields.hpp: subclass foo |
102 |
+ |
|
103 |
+ |
2004-10-26 21:16 gezelter |
104 |
+ |
|
105 |
+ |
* src/UseTheForce/: EAM_FF.cpp, LJFF.cpp, WATER.cpp: more char* -> |
106 |
+ |
string conversion |
107 |
+ |
|
108 |
+ |
2004-10-26 19:01 gezelter |
109 |
+ |
|
110 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
111 |
+ |
UseTheForce/ForceFields.hpp, brains/SimSetup.cpp, |
112 |
+ |
brains/SimSetup.hpp: char* -> string |
113 |
+ |
|
114 |
+ |
2004-10-26 17:25 gezelter |
115 |
+ |
|
116 |
+ |
* src/types/: AtomType.cpp, AtomType.hpp, DirectionalAtomType.hpp, |
117 |
+ |
Makefile, ShapeAtomType.cpp, ShapeAtomType.hpp, ShapeType.cpp, |
118 |
+ |
ShapeType.hpp: Making ShapeType into a ShapeAtomType, fixing some |
119 |
+ |
isXXX |
120 |
+ |
|
121 |
+ |
2004-10-26 17:25 gezelter |
122 |
+ |
|
123 |
+ |
* src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp: |
124 |
+ |
define name collision |
125 |
+ |
|
126 |
+ |
2004-10-26 17:24 gezelter |
127 |
+ |
|
128 |
+ |
* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
129 |
+ |
UseTheForce/ForceFields.hpp, UseTheForce/LJFF.cpp, |
130 |
+ |
UseTheForce/Makefile, UseTheForce/Shapes_FF.cpp, |
131 |
+ |
UseTheForce/WATER.cpp, UseTheForce/doForces.F90, |
132 |
+ |
UseTheForce/DarkSide/shapes_interface.h, brains/SimSetup.cpp: |
133 |
+ |
forcefield refactoring for shapes |
134 |
+ |
|
135 |
+ |
2004-10-26 17:24 gezelter |
136 |
+ |
|
137 |
+ |
* samples/shape/: 5CB.shape, 8CB.shape, C60.shape, C70.shape, |
138 |
+ |
Shapes.frc, cholesterol.shape, ethylBenzene.shape, linear.in, |
139 |
+ |
linear.md, linear.shape, toluene.shape: adding sample shape |
140 |
+ |
directory |
141 |
+ |
|
142 |
+ |
2004-10-26 17:19 tim |
143 |
+ |
|
144 |
+ |
* ChangeLog, src/brains/DataStorage.cpp, |
145 |
+ |
src/brains/DataStorage.hpp, src/brains/Snapshot.hpp, |
146 |
+ |
test/brains/DataStorageTestCase.cpp, |
147 |
+ |
test/brains/DataStorageTestCase.hpp, test/brains/Makefile: |
148 |
+ |
DataStorage passes unit test |
149 |
+ |
|
150 |
+ |
2004-10-26 13:03 chrisfen |
151 |
+ |
|
152 |
+ |
* src/UseTheForce/DarkSide/: shapes.F90, shapes_interface.h: |
153 |
+ |
Changes to help advance shapes |
154 |
+ |
|
155 |
+ |
2004-10-26 13:02 chrisfen |
156 |
+ |
|
157 |
+ |
* src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp: Changes to |
158 |
+ |
Shapes force field reader |
159 |
+ |
|
160 |
+ |
2004-10-26 12:28 tim |
161 |
+ |
|
162 |
+ |
* src/brains/Snapshot.hpp, test/brains/RigidBody.hpp: Snaphot and |
163 |
+ |
SnapshotTestCase in progress |
164 |
+ |
|
165 |
|
2004-10-25 17:46 tim |
166 |
|
|
167 |
|
* ChangeLog, src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp, |