11 |
|
|
12 |
|
|
13 |
|
#ifdef PROFILE |
14 |
< |
#include "mdProfile.hpp" |
14 |
> |
#include "profiling/mdProfile.hpp" |
15 |
|
#endif |
16 |
|
|
17 |
< |
#include "simError.h" |
18 |
< |
#include "ForceFields.hpp" |
19 |
< |
#include "Atom.hpp" |
20 |
< |
#include "fortranWrappers.hpp" |
17 |
> |
#include "utils/simError.h" |
18 |
> |
#include "UseTheForce/ForceFields.hpp" |
19 |
> |
#include "primitives/Atom.hpp" |
20 |
> |
//#include "UseTheForce/fortranWrappers.hpp" |
21 |
> |
#include "UseTheForce/doForces_interface.h" |
22 |
|
|
22 |
– |
|
23 |
|
void ForceFields::calcRcut( void ){ |
24 |
|
|
25 |
|
#ifdef IS_MPI |