| 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(){ |