# | Line 178 | Line 178 | double Molecule::getCOMvel( double COMvel[3] ) { | |
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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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