242 |
|
//store the tau and long range potential |
243 |
|
curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] = lrPot; |
244 |
|
// curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] = longRangePotential; |
245 |
< |
curSnapshot->statData[Stats::VANDERWAALS_POTENTIAL] = longRangePotential[VDW_POT]; |
245 |
> |
curSnapshot->statData[Stats::VANDERWAALS_POTENTIAL] = longRangePotential[VDW_POT]; |
246 |
|
curSnapshot->statData[Stats::ELECTROSTATIC_POTENTIAL] = longRangePotential[ELECTROSTATIC_POT]; |
247 |
|
|
248 |
|
curSnapshot->statData.setTau(tau); |