| 49 |
|
#include "integrators/NPTi.hpp" |
| 50 |
|
#include "integrators/NPTf.hpp" |
| 51 |
|
#include "integrators/NPTxyz.hpp" |
| 52 |
+ |
#include "integrators/NPAT.hpp" |
| 53 |
+ |
#include "integrators/NPrT.hpp" |
| 54 |
+ |
|
| 55 |
|
#include "minimizers/MinimizerFactory.hpp" |
| 56 |
|
#include "minimizers/MinimizerCreator.hpp" |
| 57 |
|
#include "minimizers/PRCG.hpp" |
| 60 |
|
#include "UseTheForce/EAM_FF.hpp" |
| 61 |
|
#include "UseTheForce/ForceFieldFactory.hpp" |
| 62 |
|
#include "UseTheForce/ForceFieldCreator.hpp" |
| 63 |
+ |
#include "UseTheForce/SHAPES_FF.hpp" |
| 64 |
|
#include "lattice/LatticeFactory.hpp" |
| 65 |
|
#include "lattice/LatticeCreator.hpp" |
| 66 |
|
#include "lattice/FCCLattice.hpp" |
| 76 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ")); |
| 77 |
|
//in theory, EAM can also be merged |
| 78 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); |
| 79 |
+ |
//heck, that worked... let's try merging SHAPES |
| 80 |
+ |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES")); |
| 81 |
+ |
|
| 82 |
|
} |
| 83 |
|
|
| 84 |
|
void registerIntegrators() { |
| 87 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTi")); |
| 88 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTf")); |
| 89 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTxyz")); |
| 90 |
+ |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT")); |
| 91 |
+ |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPrT")); |
| 92 |
+ |
|
| 93 |
|
} |
| 94 |
|
|
| 95 |
|
void registerMinimizers() { |
