# | Line 195 | Line 195 | double Molecule::getCOMvel( double COMvel[3] ) { | |
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195 | return mtot; | |
196 | ||
197 | } | |
198 | – | |
199 | – | void Molecule::atomicRollCall(int* molMembership) { |
200 | – | int i, which; |
201 | – | |
202 | – | for (i=0; i < nAtoms; i++) { |
203 | – | if (myAtoms[i] != NULL) { |
204 | – | which = myAtoms[i]->getIndex(); |
205 | – | molMembership[which] = globalIndex; |
206 | – | } |
207 | – | } |
208 | – | } |
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