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root/OpenMD/branches/development/src/primitives/CutoffGroup.hpp
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Comparing branches/development/src/primitives/CutoffGroup.hpp (file contents):
Revision 1540 by gezelter, Mon Jan 17 21:34:36 2011 UTC vs.
Revision 1581 by gezelter, Mon Jun 13 22:13:12 2011 UTC

# Line 53 | Line 53 | namespace OpenMD {
53      CutoffGroup() :  snapshotMan_(NULL) {
54  
55        storage_ = &Snapshot::cgData;
56 – #ifdef IS_MPI
57 –      iStorage_ = &Snapshot::cgIData;
58 –      jStorage_ = &Snapshot::cgJData;
59 – #endif
56        haveTotalMass = false;
57        totalMass = 0.0;
58      }
# Line 112 | Line 108 | namespace OpenMD {
108        totalMass = getMass();
109        
110        if (cutoffAtomList.size() == 1) {
115 –        std::cerr << "YO!\n";
116 –        std::cerr << "atipos = " << beginAtom(i)->getPos() << "\n";
117 –        std::cerr << "lI = " << localIndex_ << "\n";
118 –
111          data.position[localIndex_] = beginAtom(i)->getPos();
120 –        std::cerr << "YOYO!\n";
112        } else {
113          data.position[localIndex_] = V3Zero;
114          for(atom = beginAtom(i); atom != NULL; atom = nextAtom(i)) {
# Line 128 | Line 119 | namespace OpenMD {
119      }
120  
121  
122 <    /**
132 <     * Returns the current position of this cutoffGroup for the outer
133 <     * iteration over the cutoff groups.  For Force decomposition,
134 <     * this is the position of the cutoff groups ordered by row index.
135 <     * For serial calculations, this is just the position of the
136 <     * cutoff group.
137 <     */    
138 <    Vector3d getPosI() {
139 < #ifdef IS_MPI
140 <      return ((snapshotMan_->getCurrentSnapshot())->*iStorage_).position[iIndex_];
141 < #else
122 >    Vector3d getPos() {
123        return ((snapshotMan_->getCurrentSnapshot())->*storage_).position[localIndex_];      
143 – #endif
124      }
145 –
146 –    /**
147 –     * Returns the current position of this cutoffGroup for the inner
148 –     * iteration over the cutoff groups.  For Force decomposition,
149 –     * this is the position of the cutoff groups ordered by column
150 –     * index.  For serial calculations, this is just the position of
151 –     * the cutoff group.
152 –     */    
153 –    Vector3d getPosJ() {
154 – #ifdef IS_MPI
155 –      return ((snapshotMan_->getCurrentSnapshot())->*jStorage_).position[jIndex_];
156 – #else
157 –      return ((snapshotMan_->getCurrentSnapshot())->*storage_).position[localIndex_];      
158 – #endif
159 –    }
125      
126      int getNumAtom() {
127        return cutoffAtomList.size();
# Line 196 | Line 161 | namespace OpenMD {
161      int localIndex_;
162      DataStoragePointer storage_;
163      SnapshotManager* snapshotMan_;
199 – #ifdef IS_MPI
200 –    int iIndex_;
201 –    int jIndex_;
202 –    DataStoragePointer iStorage_;
203 –    DataStoragePointer jStorage_;
204 – #endif
164  
165    };  
166   } //end namespace OpenMD

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