| 45 |
|
|
| 46 |
|
!! @author Charles F. Vardeman II |
| 47 |
|
!! @author Matthew Meineke |
| 48 |
< |
!! @version $Id: doForces.F90,v 1.39 2005-09-07 22:08:39 gezelter Exp $, $Date: 2005-09-07 22:08:39 $, $Name: not supported by cvs2svn $, $Revision: 1.39 $ |
| 48 |
> |
!! @version $Id: doForces.F90,v 1.40 2005-09-07 22:44:48 chuckv Exp $, $Date: 2005-09-07 22:44:48 $, $Name: not supported by cvs2svn $, $Revision: 1.40 $ |
| 49 |
|
|
| 50 |
|
|
| 51 |
|
module doForces |
| 260 |
|
|
| 261 |
|
integer :: myStatus, nAtypes, i, j, istart, iend, jstart, jend |
| 262 |
|
integer :: n_in_i, me_i, ia, g, atom1, nGroupTypes |
| 263 |
+ |
integer :: nGroupsInRow |
| 264 |
|
real(kind=dp):: thisSigma, bigSigma, thisRcut, tol, skin |
| 265 |
|
real(kind=dp) :: biggestAtypeCutoff |
| 266 |
|
|
| 273 |
|
return |
| 274 |
|
endif |
| 275 |
|
endif |
| 276 |
< |
|
| 276 |
> |
#ifdef IS_MPI |
| 277 |
> |
nGroupsInRow = getNgroupsInRow(plan_group_row) |
| 278 |
> |
#endif |
| 279 |
|
nAtypes = getSize(atypes) |
| 280 |
|
|
| 281 |
|
do i = 1, nAtypes |
