| # | Line 178 | Line 178 | double Molecule::getCOMvel( double COMvel[3] ) { | |
|---|---|---|
| 178 | ||
| 179 | for (i=0; i < nAtoms; i++) { | |
| 180 | if (myAtoms[i] != NULL) { | |
| 181 | < | |
| 181 | > | |
| 182 | mass = myAtoms[i]->getMass(); | |
| 183 | mtot += mass; | |
| 184 | COMvel[0] += myAtoms[i]->get_vx() * mass; | |
| # | Line 202 | Line 202 | void Molecule::atomicRollCall(int* molMembership) { | |
| 202 | for (i=0; i < nAtoms; i++) { | |
| 203 | if (myAtoms[i] != NULL) { | |
| 204 | which = myAtoms[i]->getIndex(); | |
| 205 | < | molMembership[which] = myIndex; |
| 205 | > | molMembership[which] = globalIndex; |
| 206 | } | |
| 207 | } | |
| 208 | } | |
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