| 186 |
|
* idat structure. |
| 187 |
|
*/ |
| 188 |
|
|
| 189 |
< |
void Sticky::calcForce(InteractionData idat) { |
| 189 |
> |
void Sticky::calcForce(InteractionData &idat) { |
| 190 |
|
|
| 191 |
|
if (!initialized_) initialize(); |
| 192 |
|
|
| 343 |
|
dspdr = 0.0; |
| 344 |
|
} |
| 345 |
|
|
| 346 |
< |
idat.vpair += 0.5*(v0*s*w + v0p*sp*wp); |
| 347 |
< |
idat.pot += 0.5*(v0*s*w + v0p*sp*wp)*idat.sw; |
| 346 |
> |
idat.vpair[2] += 0.5*(v0*s*w + v0p*sp*wp); |
| 347 |
> |
idat.pot[2] += 0.5*(v0*s*w + v0p*sp*wp)*idat.sw; |
| 348 |
|
|
| 349 |
|
// do the torques first since they are easy: |
| 350 |
|
// remember that these are still in the body-fixed axes |
