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#ifdef PROFILE |
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< |
#include "mdProfile.hpp" |
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> |
#include "profiling/mdProfile.hpp" |
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#endif |
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< |
#include "simError.h" |
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< |
#include "ForceFields.hpp" |
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< |
#include "Atom.hpp" |
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< |
#include "fortranWrappers.hpp" |
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> |
#include "utils/simError.h" |
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> |
#include "UseTheForce/ForceFields.hpp" |
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> |
#include "primitives/Atom.hpp" |
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> |
#include "UseTheForce/doForces_interface.h" |
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void ForceFields::calcRcut( void ){ |
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startProfile(pro8); |
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#endif |
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171 |
< |
fortranForceLoop( pos, |
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> |
doForceLoop( pos, |
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rc, |
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A, |
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u_l, |