| 55 |
|
#include "integrators/NgammaT.hpp" |
| 56 |
|
#include "integrators/LangevinDynamics.hpp" |
| 57 |
|
#if defined(HAVE_QHULL) |
| 58 |
< |
#include "integrators/SMIPDynamics.hpp" |
| 58 |
> |
#include "integrators/LangevinHullDynamics.hpp" |
| 59 |
|
#endif |
| 60 |
|
|
| 61 |
|
#include "minimizers/MinimizerFactory.hpp" |
| 112 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS")); |
| 113 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD")); |
| 114 |
|
#if defined(HAVE_QHULL) |
| 115 |
< |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<SMIPDynamics>("SMIPD")); |
| 115 |
> |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("LHULL")); |
| 116 |
> |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("LANGEVINHULL")); |
| 117 |
|
#endif |
| 118 |
|
} |
| 119 |
|
|