50 |
|
!! @author Matthew Meineke |
51 |
|
!! @author Christopher Fennell |
52 |
|
!! @author J. Daniel Gezelter |
53 |
< |
!! @version $Id: sticky.F90,v 1.14 2005-08-26 21:30:41 chrisfen Exp $, $Date: 2005-08-26 21:30:41 $, $Name: not supported by cvs2svn $, $Revision: 1.14 $ |
53 |
> |
!! @version $Id: sticky.F90,v 1.17 2005-10-12 21:00:50 gezelter Exp $, $Date: 2005-10-12 21:00:50 $, $Name: not supported by cvs2svn $, $Revision: 1.17 $ |
54 |
|
|
55 |
|
module sticky |
56 |
|
|
66 |
|
implicit none |
67 |
|
|
68 |
|
PRIVATE |
69 |
+ |
#define __FORTRAN90 |
70 |
+ |
#include "UseTheForce/DarkSide/fInteractionMap.h" |
71 |
|
|
72 |
|
public :: newStickyType |
73 |
|
public :: do_sticky_pair |
308 |
|
vpair = vpair + 0.5d0*(v0*s*w + v0p*sp*wp) |
309 |
|
if (do_pot) then |
310 |
|
#ifdef IS_MPI |
311 |
< |
pot_row(atom1) = pot_row(atom1) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw |
312 |
< |
pot_col(atom2) = pot_col(atom2) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw |
311 |
> |
pot_row(HB_POT,atom1) = pot_row(HB_POT,atom1) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw |
312 |
> |
pot_col(HB_POT,atom2) = pot_col(HB_POT,atom2) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw |
313 |
|
#else |
314 |
|
pot = pot + 0.5d0*(v0*s*w + v0p*sp*wp)*sw |
315 |
|
#endif |
682 |
|
|
683 |
|
if (do_pot) then |
684 |
|
#ifdef IS_MPI |
685 |
< |
pot_row(atom1) = pot_row(atom1) + 0.25d0*(v0*s*w)*sw |
686 |
< |
pot_col(atom2) = pot_col(atom2) + 0.25d0*(v0*s*w)*sw |
685 |
> |
pot_row(HB_POT,atom1) = pot_row(HB_POT,atom1) + 0.25d0*(v0*s*w)*sw |
686 |
> |
pot_col(HB_POT,atom2) = pot_col(HB_POT,atom2) + 0.25d0*(v0*s*w)*sw |
687 |
|
#else |
688 |
|
pot = pot + 0.5d0*(v0*s*w)*sw |
689 |
|
#endif |