| 49 |
|
#include "integrators/NPTi.hpp" |
| 50 |
|
#include "integrators/NPTf.hpp" |
| 51 |
|
#include "integrators/NPTxyz.hpp" |
| 52 |
+ |
#include "integrators/NPTsz.hpp" |
| 53 |
|
#include "integrators/NPAT.hpp" |
| 54 |
|
#include "integrators/NPrT.hpp" |
| 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" |
| 103 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTI")); |
| 104 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF")); |
| 105 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ")); |
| 106 |
+ |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTsz>("NPTSZ")); |
| 107 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT")); |
| 108 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT")); |
| 109 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT")); |
| 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 |
> |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("SMIPD")); |
| 118 |
|
#endif |
| 119 |
|
} |
| 120 |
|
|