147 |
|
integrableObject = mol->nextIntegrableObject(j)) { |
148 |
|
oldVel_[index] = integrableObject->getVel(); |
149 |
|
oldJi_[index] = integrableObject->getJ(); |
150 |
+ |
|
151 |
+ |
++index; |
152 |
|
} |
153 |
< |
++index; |
153 |
> |
|
154 |
|
} |
155 |
|
|
156 |
|
// do the iteration: |
189 |
|
|
190 |
|
//for(j = 0; j < 3; j++) |
191 |
|
// ji[j] = oldJi_[3*i + j] + dt2 * (Tb[j] * OOPSEConstant::energyConvert - oldJi_[3*i+j]*chi); |
192 |
< |
ji += dt2*OOPSEConstant::energyConvert*Tb - dt2*chi *oldJi_[index]; |
192 |
> |
ji = oldJi_[index] + dt2*OOPSEConstant::energyConvert*Tb - dt2*chi *oldJi_[index]; |
193 |
|
|
194 |
|
integrableObject->setJ(ji); |
195 |
|
} |