| # | Line 343 | Line 343 | namespace OpenMD { | |
|---|---|---|
| 343 | } | |
| 344 | ||
| 345 | *(idat.vpair) += 0.5*(v0*s*w + v0p*sp*wp); | |
| 346 | < | idat.pot[HYDROGENBONDING_FAMILY] += 0.5*(v0*s*w + v0p*sp*wp)* *(idat.sw) ; |
| 346 | > | (*(idat.pot))[HYDROGENBONDING_FAMILY] += 0.5*(v0*s*w + v0p*sp*wp)* *(idat.sw) ; |
| 347 | ||
| 348 | // do the torques first since they are easy: | |
| 349 | // remember that these are still in the body-fixed axes | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |