1 |
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2004-11-02 11:59 tim |
2 |
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|
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* src/brains/SimModel.cpp: file SimModel.cpp was initially added on |
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branch new_design. |
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|
6 |
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2004-11-02 11:59 tim |
7 |
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|
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* src/brains/: SimModel.cpp, SimModel.hpp, SimSnapshotManager.cpp, |
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SimSnapshotManager.hpp: SimModel in progress |
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|
11 |
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2004-11-02 10:28 chrisfen |
12 |
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|
13 |
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* src/: UseTheForce/DarkSide/shapes.F90, |
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primitives/StuntDouble.cpp, primitives/StuntDouble.hpp: Shapes |
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looks like it's working |
16 |
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|
17 |
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2004-11-02 10:27 tim |
18 |
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|
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* src/utils/MemoryUtils.hpp: adding MemoryUtils which provide some |
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functions for dealing with memory issue |
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|
22 |
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2004-11-02 10:27 tim |
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|
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* src/utils/MemoryUtils.hpp: file MemoryUtils.hpp was initially |
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added on branch new_design. |
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|
27 |
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2004-11-02 10:23 tim |
28 |
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|
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* src/: brains/SimModel.hpp, brains/Snapshot.hpp, |
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brains/SnapshotManager.hpp, primitives/Molecule.hpp: adding |
31 |
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SimModel(something similar as SimInfo) |
32 |
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|
33 |
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2004-11-01 17:52 tim |
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|
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* src/: applications/simpleBuilder/MoLocator.hpp, |
36 |
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applications/simpleBuilder/simpleBuilder.cpp, |
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brains/DataStorage.hpp, brains/ForceFields.cpp, |
38 |
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brains/Snapshot.hpp, brains/SnapshotManager.hpp, brains/Thermo.cpp, |
39 |
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constraints/ZConstraint.cpp, integrators/Integrator.cpp, |
40 |
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integrators/NPT.cpp, integrators/NVT.cpp, io/DumpWriter.cpp, |
41 |
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math/SquareMatrix3.hpp, math/Vector3.hpp, |
42 |
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minimizers/OOPSEMinimizer.cpp, primitives/Bend.hpp, |
43 |
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primitives/Bond.hpp, primitives/CutoffGroup.hpp, |
44 |
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primitives/Molecule.cpp, primitives/Molecule.hpp, |
45 |
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primitives/RigidBody.hpp, primitives/Torsion.hpp, |
46 |
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restraints/Restraints.cpp, types/TorsionType.hpp, |
47 |
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utils/PropertyMap.hpp, utils/StringTokenizer.hpp, |
48 |
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visitors/AtomVisitor.cpp, visitors/BaseVisitor.hpp, |
49 |
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visitors/RigidBodyVisitor.cpp: Molecule, Atom, DirectionalAtom, |
50 |
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RigidBody and StuntDouble classes get compiled |
51 |
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|
52 |
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2004-11-01 16:40 tim |
53 |
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|
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* src/primitives/Torsion.hpp: file Torsion.hpp was initially added |
55 |
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on branch new_design. |
56 |
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|
57 |
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2004-11-01 16:40 tim |
58 |
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|
59 |
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* src/primitives/Bend.hpp: file Bend.hpp was initially added on |
60 |
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branch new_design. |
61 |
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|
62 |
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2004-11-01 16:40 tim |
63 |
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|
64 |
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* src/primitives/Bond.hpp: file Bond.hpp was initially added on |
65 |
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branch new_design. |
66 |
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|
67 |
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2004-11-01 16:40 tim |
68 |
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|
69 |
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* src/primitives/: Bend.hpp, Bond.hpp, Torsion.hpp: add initial |
70 |
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version of Bond, Bend and Torsion. |
71 |
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|
72 |
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2004-11-01 16:37 tim |
73 |
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|
74 |
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* src/types/BendType.hpp: file BendType.hpp was initially added on |
75 |
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branch new_design. |
76 |
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|
77 |
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2004-11-01 16:37 tim |
78 |
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|
79 |
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* src/types/: BendType.hpp, BondType.hpp, TorsionType.hpp: adding |
80 |
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BondType, BendType, TorsionType |
81 |
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|
82 |
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2004-11-01 16:37 tim |
83 |
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|
84 |
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* src/types/TorsionType.hpp: file TorsionType.hpp was initially |
85 |
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added on branch new_design. |
86 |
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|
87 |
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2004-11-01 16:37 tim |
88 |
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|
89 |
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* src/types/BondType.hpp: file BondType.hpp was initially added on |
90 |
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branch new_design. |
91 |
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|
92 |
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2004-11-01 15:15 tim |
93 |
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|
94 |
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* src/primitives/: Atom.cpp, Atom.hpp, Bend.cpp, Bond.cpp, |
95 |
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CutoffGroup.hpp, DirectionalAtom.cpp, DirectionalAtom.hpp, |
96 |
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GhostBend.cpp, Makefile, Molecule.cpp, Molecule.hpp, RigidBody.cpp, |
97 |
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RigidBody.hpp, StuntDouble.cpp, StuntDouble.hpp, Torsion.cpp: |
98 |
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break, break and break..... |
99 |
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|
100 |
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2004-11-01 14:57 tim |
101 |
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|
102 |
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* test/brains/: Atom.cpp, DirectioanlAtom.cpp, DirectionalAtom.cpp, |
103 |
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DirectionalAtom.hpp, RigidBody.cpp, RigidBody.hpp, StuntDouble.cpp, |
104 |
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StuntDouble.hpp: these core classes get compiled |
105 |
+ |
|
106 |
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2004-10-29 17:37 tim |
107 |
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|
108 |
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* test/brains/: Molecule.cpp, Molecule.hpp: more work on Molecule |
109 |
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class |
110 |
+ |
|
111 |
+ |
2004-10-29 17:28 chrisfen |
112 |
+ |
|
113 |
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* src/: UseTheForce/DarkSide/atype.F90, |
114 |
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UseTheForce/DarkSide/shapes.F90, math/RealSphericalHarmonic.cpp, |
115 |
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types/ShapeAtomType.cpp: still debugging |
116 |
+ |
|
117 |
+ |
2004-10-29 17:28 chrisfen |
118 |
+ |
|
119 |
+ |
* src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp, doForces.F90: |
120 |
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shapes rcut calculator added |
121 |
+ |
|
122 |
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2004-10-29 17:27 chrisfen |
123 |
+ |
|
124 |
+ |
* samples/shape/linear.md: shorter run |
125 |
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|
126 |
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2004-10-29 15:54 tim |
127 |
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|
128 |
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* test/brains/: Molecule.cpp, Molecule.hpp: rewrite Molecule class. |
129 |
+ |
|
130 |
+ |
2004-10-29 11:22 tim |
131 |
+ |
|
132 |
+ |
* test/utils/: GenerateCombination.hpp, ReplaceWildCard.hpp, |
133 |
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ReplaceWildCardTestCase.cpp, ReplaceWildCardTestCase.hpp: Remove |
134 |
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some deprecated files |
135 |
+ |
|
136 |
+ |
2004-10-29 11:20 tim |
137 |
+ |
|
138 |
+ |
* test/brains/: Atom.cpp, Atom.hpp, DirectioanlAtom.cpp, |
139 |
+ |
DirectionalAtom.hpp, RigidBody.cpp, RigidBody.hpp, StuntDouble.hpp: |
140 |
+ |
More painful reconstruction is coming !!! |
141 |
+ |
|
142 |
+ |
2004-10-28 17:34 tim |
143 |
+ |
|
144 |
+ |
* src/brains/DataStorage.hpp, src/utils/next_combination.hpp, |
145 |
+ |
test/brains/DirectioanlAtom.cpp, test/brains/DirectionalAtom.hpp, |
146 |
+ |
test/brains/RigidBody.cpp, test/brains/RigidBody.hpp, |
147 |
+ |
test/brains/StuntDouble.hpp: More work on StuntDouble, Atom, |
148 |
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DirectionalAtom and RigidBody |
149 |
+ |
|
150 |
+ |
2004-10-28 17:26 tim |
151 |
+ |
|
152 |
+ |
* ChangeLog, src/applications/simpleBuilder/BaseLattice.hpp, |
153 |
+ |
src/applications/simpleBuilder/MoLocator.cpp, |
154 |
+ |
src/applications/simpleBuilder/Vector3d.hpp, |
155 |
+ |
src/utils/GenericFactory.hpp, src/utils/next_combination.hpp: |
156 |
+ |
remove old Vector3d.hpp from application/simpleBuilder |
157 |
+ |
|
158 |
+ |
2004-10-28 16:42 tim |
159 |
+ |
|
160 |
+ |
* src/utils/next_combination.hpp: Minor change in next_combination |
161 |
+ |
|
162 |
+ |
2004-10-28 16:28 tim |
163 |
+ |
|
164 |
+ |
* src/utils/next_combination.hpp, |
165 |
+ |
test/utils/NextCombinationTestCase.cpp, |
166 |
+ |
test/utils/ReplaceWildCardTestCase.cpp: Done with combination |
167 |
+ |
|
168 |
+ |
2004-10-28 16:11 tim |
169 |
+ |
|
170 |
+ |
* src/utils/next_combination.hpp: change documentation of |
171 |
+ |
next_combination.hpp |
172 |
+ |
|
173 |
+ |
2004-10-28 15:41 tim |
174 |
+ |
|
175 |
+ |
* ChangeLog, src/utils/next_combination.hpp, |
176 |
+ |
test/utils/NextCombinationTestCase.cpp, |
177 |
+ |
test/utils/NextCombinationTestCase.hpp: ReplaceWildCard is working |
178 |
+ |
|
179 |
+ |
2004-10-28 15:01 tim |
180 |
+ |
|
181 |
+ |
* src/utils/next_combination.hpp: adding replace wildcard function |
182 |
+ |
|
183 |
+ |
2004-10-28 14:33 tim |
184 |
+ |
|
185 |
+ |
* src/utils/next_combination.hpp: Minor change |
186 |
+ |
|
187 |
|
2004-10-28 14:06 tim |
188 |
|
|
189 |
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* ChangeLog, src/applications/simpleBuilder/MoLocator.hpp, |