| 264 |
|
|
| 265 |
|
RealType b0c, b1c, b2c, b3c, b4c, b5c; |
| 266 |
|
RealType db0c_1, db0c_2, db0c_3, db0c_4, db0c_5; |
| 267 |
< |
RealType a2, expTerm, invArootPi; |
| 267 |
> |
RealType a2, expTerm, invArootPi(0.0); |
| 268 |
|
|
| 269 |
|
RealType r = cutoffRadius_; |
| 270 |
|
RealType r2 = r * r; |
| 1165 |
|
bool i_is_Quadrupole = data.is_Quadrupole; |
| 1166 |
|
bool i_is_Fluctuating = data.is_Fluctuating; |
| 1167 |
|
RealType C_a = data.fixedCharge; |
| 1168 |
< |
RealType self(0.0), preVal, DdD, trQ, trQQ; |
| 1168 |
> |
RealType self(0.0), preVal, DdD(0.0), trQ, trQQ; |
| 1169 |
|
|
| 1170 |
|
if (i_is_Dipole) { |
| 1171 |
|
DdD = data.dipole.lengthSquare(); |