50 |
|
#endif |
51 |
|
implicit none |
52 |
|
PRIVATE |
53 |
+ |
#define __FORTRAN90 |
54 |
+ |
#include "UseTheForce/DarkSide/fInteractionMap.h" |
55 |
|
|
56 |
|
INTEGER, PARAMETER :: DP = selected_real_kind(15) |
57 |
|
|
864 |
|
|
865 |
|
#ifdef IS_MPI |
866 |
|
if (do_pot) then |
867 |
< |
pot_Row(atom1) = pot_Row(atom1) + phab*0.5 |
868 |
< |
pot_Col(atom2) = pot_Col(atom2) + phab*0.5 |
867 |
> |
pot_Row(EAM_POT,atom1) = pot_Row(EAM_POT,atom1) + phab*0.5 |
868 |
> |
pot_Col(EAM_POT,atom2) = pot_Col(EAM_POT,atom2) + phab*0.5 |
869 |
|
end if |
870 |
|
|
871 |
|
f_Row(1,atom1) = f_Row(1,atom1) + fx |