| # | Line 163 | Line 163 | void Verlet::integrate( void ){ | |
|---|---|---|
| 163 | // the first time integrate is called, the forces need to be initialized | |
| 164 | ||
| 165 | ||
| 166 | < | myFF->doForces(1); |
| 166 | > | myFF->doForces(1,0); |
| 167 | ||
| 168 | if( entry_plug->setTemp ){ | |
| 169 | tStats->velocitize(); | |
| # | Line 215 | Line 215 | void Verlet::integrate( void ){ | |
| 215 | ||
| 216 | // calculate the forces | |
| 217 | ||
| 218 | < | myFF->doForces(calcPot); |
| 218 | > | myFF->doForces(calcPot,0); |
| 219 | ||
| 220 | // finish the constrain move ( same as above. ) | |
| 221 | ||
| # | Line 268 | Line 268 | void Verlet::integrate( void ){ | |
| 268 | ||
| 269 | // calculate the forces | |
| 270 | ||
| 271 | < | myFF->doForces(calcPot); |
| 271 | > | myFF->doForces(calcPot,0); |
| 272 | ||
| 273 | // complete the verlet move | |
| 274 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |