104 |
|
|
105 |
|
// Create a default ForceManager: If the subclass wants to use |
106 |
|
// a different ForceManager, use setForceManager |
107 |
– |
|
107 |
|
forceMan_ = new ForceManager(info); |
108 |
|
|
109 |
|
// check for the temperature set flag (velocity scaling) |
139 |
|
|
140 |
|
rotAlgo_ = new DLM(); |
141 |
|
rattle_ = new Rattle(info); |
142 |
< |
forceMan_->initialize(); |
143 |
< |
flucQ_ = new FluctuatingChargeNVT(info); |
142 |
> |
//forceMan_->initialize(); |
143 |
> |
flucQ_ = new FluctuatingChargeNVT(info, forceMan_); |
144 |
|
} |
145 |
|
|
146 |
|
Integrator::~Integrator(){ |