| 2 |
|
!! Corresponds to the force field defined in lj_FF.cpp |
| 3 |
|
!! @author Charles F. Vardeman II |
| 4 |
|
!! @author Matthew Meineke |
| 5 |
< |
!! @version $Id: calc_LJ_FF.F90,v 1.1.1.1 2003-03-21 17:42:12 mmeineke Exp $, $Date: 2003-03-21 17:42:12 $, $Name: not supported by cvs2svn $, $Revision: 1.1.1.1 $ |
| 5 |
> |
!! @version $Id: calc_LJ_FF.F90,v 1.2 2003-04-04 22:22:30 chuckv Exp $, $Date: 2003-04-04 22:22:30 $, $Name: not supported by cvs2svn $, $Revision: 1.2 $ |
| 6 |
|
|
| 7 |
|
module lj |
| 8 |
|
use definitions |
| 9 |
|
use atype_module |
| 10 |
|
use vector_class |
| 11 |
+ |
use simulation |
| 12 |
|
#ifdef IS_MPI |
| 13 |
|
use mpiSimulation |
| 14 |
|
#endif |
| 181 |
|
integer, intent(in) :: atom1, atom2 |
| 182 |
|
real( kind = dp ), intent(in) :: rij, r2 |
| 183 |
|
real( kind = dp ) :: pot |
| 184 |
< |
real( kind = dp ), dimension(:,:) :: f |
| 184 |
> |
real( kind = dp ), dimension(3,getNlocal()) :: f |
| 185 |
|
real( kind = dp ), intent(in), dimension(3) :: d |
| 186 |
|
logical, intent(in) :: do_pot, do_stress |
| 187 |
|
|
