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