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root/OpenMD/branches/devel_omp/src/parallel/ForceDecomposition.cpp
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Comparing branches/devel_omp/src/parallel/ForceDecomposition.cpp (file contents):
Revision 1594 by chuckv, Tue Jul 19 16:45:30 2011 UTC vs.
Revision 1595 by chuckv, Tue Jul 19 18:50:04 2011 UTC

# Line 85 | Line 85 | namespace OpenMD {
85      cellOffsets_.push_back( Vector3i(-1,-1,1) );
86      cellOffsets_.push_back( Vector3i(0, -1,1) );
87      cellOffsets_.push_back( Vector3i(1, -1,1) );
88 +
89 +    // cellAllOffsets are the full space for the cell lists used in
90 +        // constructing the neighbor lists
91 +        cellAllOffsets_.clear();
92 +        cellAllOffsets_.push_back( Vector3i(0, 0, 0) );
93 +
94 +        cellAllOffsets_.push_back( Vector3i(-1, -1, -1) );
95 +        cellAllOffsets_.push_back( Vector3i(0, -1, -1) );
96 +        cellAllOffsets_.push_back( Vector3i(1, -1, -1) );
97 +        cellAllOffsets_.push_back( Vector3i(-1, 0, -1) );
98 +        cellAllOffsets_.push_back( Vector3i(0, 0, -1) );
99 +        cellAllOffsets_.push_back( Vector3i(1, 0, -1) );
100 +        cellAllOffsets_.push_back( Vector3i(-1, 1, -1) );
101 +        cellAllOffsets_.push_back( Vector3i(0, 1, -1) );
102 +        cellAllOffsets_.push_back( Vector3i(1, 1, -1) );
103 +
104 +        cellAllOffsets_.push_back( Vector3i(-1, -1, 0) );
105 +        cellAllOffsets_.push_back( Vector3i(0, -1, 0) );
106 +        cellAllOffsets_.push_back( Vector3i(1, -1, 0) );
107 +        cellAllOffsets_.push_back( Vector3i(-1, 0, 0) );
108 +        // cellAllOffsets_.push_back( Vector3i(0, 0, 0) );
109 +        cellAllOffsets_.push_back( Vector3i(1, 0, 0) );
110 +        cellAllOffsets_.push_back( Vector3i(-1, 1, 0) );
111 +        cellAllOffsets_.push_back( Vector3i(0, 1, 0) );
112 +        cellAllOffsets_.push_back( Vector3i(1, 1, 0) );
113 +
114 +        cellAllOffsets_.push_back( Vector3i(-1, -1, 1) );
115 +        cellAllOffsets_.push_back( Vector3i(0, -1, 1) );
116 +        cellAllOffsets_.push_back( Vector3i(1, -1, 1) );
117 +        cellAllOffsets_.push_back( Vector3i(-1, 0, 1) );
118 +        cellAllOffsets_.push_back( Vector3i(0, 0, 1) );
119 +        cellAllOffsets_.push_back( Vector3i(1, 0, 1) );
120 +        cellAllOffsets_.push_back( Vector3i(-1, 1, 1) );
121 +        cellAllOffsets_.push_back( Vector3i(0, 1, 1) );
122 +        cellAllOffsets_.push_back( Vector3i(1, 1, 1) );
123    }
124  
125    void ForceDecomposition::fillSelfData(SelfData &sdat, int atom1) {

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