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#include "minimizers/SDMinimizer.hpp" |
65 |
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#include "UseTheForce/DUFF.hpp" |
66 |
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#include "UseTheForce/EAM_FF.hpp" |
67 |
+ |
#include "UseTheForce/EADM_FF.hpp" |
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#include "UseTheForce/ForceFieldFactory.hpp" |
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#include "UseTheForce/ForceFieldCreator.hpp" |
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#include "UseTheForce/SHAPES_FF.hpp" |
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ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ")); |
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//in theory, EAM can also be merged |
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ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); |
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+ |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EADM_FF>("EADM")); |
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//heck, that worked... let's try merging SHAPES |
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ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES")); |
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//Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). |
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#if defined(HAVE_QHULL) |
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IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("LHULL")); |
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IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("LANGEVINHULL")); |
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IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("SMIPD")); |
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#endif |
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} |
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