| # | 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 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] = myIndex; |
| 206 | – | } |
| 207 | – | } |
| 208 | – | } |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |