54 |
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#include "minimizers/PRCG.hpp" |
55 |
|
#include "minimizers/SDMinimizer.hpp" |
56 |
|
#include "UseTheForce/DUFF.hpp" |
57 |
< |
#include "UseTheForce/EAM.hpp" |
57 |
> |
#include "UseTheForce/EAM_FF.hpp" |
58 |
|
#include "UseTheForce/ForceFieldFactory.hpp" |
59 |
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#include "UseTheForce/ForceFieldCreator.hpp" |
60 |
|
|
68 |
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ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("WATER")); |
69 |
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ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ")); |
70 |
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//in theory, EAM can also be merged |
71 |
< |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM>("EAM")); |
71 |
> |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); |
72 |
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} |
73 |
|
|
74 |
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void registerIntegrators() { |