49 |
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#include "integrators/NPTi.hpp" |
50 |
|
#include "integrators/NPTf.hpp" |
51 |
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#include "integrators/NPTxyz.hpp" |
52 |
+ |
#include "integrators/NPTsz.hpp" |
53 |
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#include "integrators/NPAT.hpp" |
54 |
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#include "integrators/NPrT.hpp" |
55 |
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#include "integrators/NgammaT.hpp" |
56 |
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#include "integrators/LangevinDynamics.hpp" |
57 |
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#if defined(HAVE_QHULL) |
58 |
< |
#include "integrators/SMIPDynamics.hpp" |
58 |
> |
#include "integrators/LangevinHullDynamics.hpp" |
59 |
|
#endif |
60 |
|
|
61 |
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#include "minimizers/MinimizerFactory.hpp" |
103 |
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IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTI")); |
104 |
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IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF")); |
105 |
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IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ")); |
106 |
+ |
IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTsz>("NPTSZ")); |
107 |
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IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT")); |
108 |
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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 |
|
#endif |
118 |
|
} |
119 |
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