# | Line 67 | Line 67 | namespace OpenMD { | |
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67 | void collectData(); | |
68 | ||
69 | // neighbor list routines | |
70 | < | vector<pair<int, int> > buildNeighborList(); |
70 | > | void buildNeighborList(vector<pair<int, int> >& neighborList); |
71 | ||
72 | // group bookkeeping | |
73 | < | groupCutoffs getGroupCutoffs(int cg1, int cg2); |
73 | > | void getGroupCutoffs(int &cg1, int &cg2, RealType &rcut, RealType &rcutsq, RealType &rlistsq); |
74 | Vector3d& getGroupVelocityColumn(int cg2); | |
75 | ||
76 | // Group->atom bookkeeping |
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