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#include "integrators/IntegratorCreator.hpp" |
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#include "integrators/Integrator.hpp" |
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#include "integrators/NVE.hpp" |
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#include "integrators/NVT.hpp" |
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#include "integrators/NPTi.hpp" |
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#include "integrators/NPTf.hpp" |
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#include "integrators/NPTxyz.hpp" |
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#include "UseTheForce/DUFF.hpp" |
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#include "UseTheForce/ForceFieldCreator.hpp" |
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|
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MPIcheckPoint(); |
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#endif |
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|
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< |
static ForceFieldBuilder<DUFF>* DUFFCreator = new ForceFieldBuilder<DUFF>("DUFF"); |
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< |
static IntegratorBuilder<NVE>* NVECreator = new IntegratorBuilder<NVE>("NVE"); |
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> |
/** @todo move another module */ |
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> |
ForceFieldBuilder<DUFF> DUFFCreator("DUFF"); |
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> |
IntegratorBuilder<NVE> NVECreator("NVE"); |
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> |
IntegratorBuilder<NVT> NVTCreator("NVT"); |
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> |
IntegratorBuilder<NPTi> NPTiCreator("NPTi"); |
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> |
IntegratorBuilder<NPTf> NPTfCreator("NPTf"); |
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> |
IntegratorBuilder<NPTxyz> NPTxyzCreator("NPTxyz"); |
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|
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//create simulation model |
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SimCreator creator; |