| # | Line 249 | Line 249 | namespace OpenMD { | |
|---|---|---|
| 249 | preRF2_ = 2.0 * preRF_; | |
| 250 | } | |
| 251 | ||
| 252 | < | RealType dx = cutoffRadius_ / RealType(np_ - 1); |
| 252 | > | // Add a 2 angstrom safety window to deal with cutoffGroups that |
| 253 | > | // have charged atoms longer than the cutoffRadius away from each |
| 254 | > | // other. Splining may not be the best choice here. Direct calls |
| 255 | > | // to erfc might be preferrable. |
| 256 | > | |
| 257 | > | RealType dx = (cutoffRadius_ + 2.0) / RealType(np_ - 1); |
| 258 | RealType rval; | |
| 259 | vector<RealType> rvals; | |
| 260 | vector<RealType> yvals; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |