67 |
|
eam_->setForceField(forceField_); |
68 |
|
sc_->setForceField(forceField_); |
69 |
|
morse_->setForceField(forceField_); |
70 |
+ |
electrostatic_->setSimInfo(info_); |
71 |
|
electrostatic_->setForceField(forceField_); |
72 |
|
maw_->setForceField(forceField_); |
73 |
|
|
269 |
|
|
270 |
|
initialized_ = true; |
271 |
|
} |
272 |
+ |
|
273 |
+ |
void InteractionManager::setCutoffRadius(RealType rcut) { |
274 |
+ |
electrostatic_->setCutoffRadius(rcut); |
275 |
+ |
} |
276 |
+ |
|
277 |
+ |
void InteractionManager::setSwitchingRadius(RealType rswitch) { |
278 |
+ |
electrostatic_->setSwitchingRadius(rswitch); |
279 |
+ |
} |
280 |
|
|
281 |
|
void InteractionManager::doPrePair(InteractionData idat){ |
282 |
|
|