| 43 |
|
!! Calculates Long Range forces Lennard-Jones interactions. |
| 44 |
|
!! @author Charles F. Vardeman II |
| 45 |
|
!! @author Matthew Meineke |
| 46 |
< |
!! @version $Id: LJ.F90,v 1.16 2005-09-21 23:45:48 chuckv Exp $, $Date: 2005-09-21 23:45:48 $, $Name: not supported by cvs2svn $, $Revision: 1.16 $ |
| 46 |
> |
!! @version $Id: LJ.F90,v 1.17 2005-10-12 18:59:16 chuckv Exp $, $Date: 2005-10-12 18:59:16 $, $Name: not supported by cvs2svn $, $Revision: 1.17 $ |
| 47 |
|
|
| 48 |
|
|
| 49 |
|
module lj |
| 58 |
|
|
| 59 |
|
implicit none |
| 60 |
|
PRIVATE |
| 61 |
+ |
#define __FORTRAN90 |
| 62 |
+ |
#include "UseTheForce/DarkSide/fInteractionMap.h" |
| 63 |
|
|
| 64 |
|
integer, parameter :: DP = selected_real_kind(15) |
| 65 |
|
|
| 415 |
|
|
| 416 |
|
#ifdef IS_MPI |
| 417 |
|
if (do_pot) then |
| 418 |
< |
pot_Row(atom1) = pot_Row(atom1) + sw*pot_temp*0.5 |
| 419 |
< |
pot_Col(atom2) = pot_Col(atom2) + sw*pot_temp*0.5 |
| 418 |
> |
pot_Row(LJ_POT,atom1) = pot_Row(LJ_POT,atom1) + sw*pot_temp*0.5 |
| 419 |
> |
pot_Col(LJ_POT,atom2) = pot_Col(LJ_POT,atom2) + sw*pot_temp*0.5 |
| 420 |
|
endif |
| 421 |
|
|
| 422 |
|
f_Row(1,atom1) = f_Row(1,atom1) + fx |
