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#include <mpi.h> |
10 |
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#endif //is_mpi |
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12 |
< |
#include "ForceFields.hpp" |
13 |
< |
#include "SRI.hpp" |
14 |
< |
#include "simError.h" |
12 |
> |
#include "UseTheForce/ForceFields.hpp" |
13 |
> |
#include "primitives/SRI.hpp" |
14 |
> |
#include "utils/simError.h" |
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|
16 |
< |
#include "fortranWrappers.hpp" |
16 |
> |
#include "UseTheForce/DarkSide/eam_interface.h" |
17 |
> |
#include "UseTheForce/DarkSide/atype_interface.h" |
18 |
> |
//#include "UseTheForce/fortranWrappers.hpp" |
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|
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#ifdef IS_MPI |
21 |
< |
#include "mpiForceField.h" |
21 |
> |
#include "UseTheForce/mpiForceField.h" |
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#endif // is_mpi |
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24 |
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174 |
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// Set eamRcut to 0.0 |
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eamRcut = 0.0; |
176 |
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175 |
– |
// do the funtion wrapping |
176 |
– |
wrapMeFF( this ); |
177 |
– |
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177 |
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#ifdef IS_MPI |
178 |
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int i; |
179 |
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297 |
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} |
298 |
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299 |
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300 |
< |
void EAM_FF::initForceField( int ljMixRule ){ |
301 |
< |
initFortran( ljMixRule, 0 ); |
300 |
> |
void EAM_FF::initForceField( ){ |
301 |
> |
initFortran(0); |
302 |
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} |
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304 |
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void EAM_FF::cleanMe( void ){ |