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#include "integrators/NgammaT.hpp" |
56 |
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#include "integrators/LangevinDynamics.hpp" |
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#if defined(HAVE_QHULL) |
58 |
< |
#include "integrators/SMIPDynamics.hpp" |
58 |
> |
#include "integrators/LangevinHullDynamics.hpp" |
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#endif |
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|
61 |
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#include "minimizers/MinimizerFactory.hpp" |
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IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS")); |
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IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD")); |
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#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")); |
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#endif |
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} |
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