| 56 |
|
#include "io/DumpWriter.hpp" |
| 57 |
|
#include "io/StatWriter.hpp" |
| 58 |
|
#include "integrators/RotationAlgorithm.hpp" |
| 59 |
< |
#include "integrators/FluctuatingChargePropagator.hpp" |
| 59 |
> |
#include "flucq/FluctuatingChargePropagator.hpp" |
| 60 |
|
#include "integrators/Velocitizer.hpp" |
| 61 |
< |
#include "integrators/RNEMD.hpp" |
| 61 |
> |
#include "rnemd/RNEMD.hpp" |
| 62 |
|
#include "constraints/Rattle.hpp" |
| 63 |
|
|
| 64 |
|
namespace OpenMD { |
| 90 |
|
delete forceMan_; |
| 91 |
|
} |
| 92 |
|
forceMan_ = forceMan; |
| 93 |
+ |
// forward this on: |
| 94 |
+ |
if (flucQ_ != NULL) { |
| 95 |
+ |
flucQ_->setForceManager(forceMan_); |
| 96 |
+ |
} |
| 97 |
|
} |
| 98 |
|
|
| 99 |
|
void setVelocitizer(Velocitizer* velocitizer) { |
| 108 |
|
delete flucQ_; |
| 109 |
|
} |
| 110 |
|
flucQ_ = prop; |
| 111 |
+ |
if (forceMan_ != NULL) { |
| 112 |
+ |
flucQ_->setForceManager(forceMan_); |
| 113 |
+ |
} |
| 114 |
|
} |
| 115 |
|
|
| 116 |
|
void setRotationAlgorithm(RotationAlgorithm* algo) { |