| # | Line 195 | Line 195 | double Molecule::getCOMvel( double COMvel[3] ) { | |
|---|---|---|
| 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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