| 35 |
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* |
| 36 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 53 |
|
#include "integrators/NPTsz.hpp" |
| 54 |
|
#include "integrators/NPAT.hpp" |
| 55 |
|
#include "integrators/NPrT.hpp" |
| 56 |
+ |
#include "integrators/NPA.hpp" |
| 57 |
|
#include "integrators/NgammaT.hpp" |
| 58 |
|
#include "integrators/LangevinDynamics.hpp" |
| 59 |
|
#if defined(HAVE_QHULL) |
| 81 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF")); |
| 82 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ")); |
| 83 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT")); |
| 84 |
+ |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPA>("NPA")); |
| 85 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT")); |
| 86 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT")); |
| 87 |
|
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGT")); |