6 |
|
!! @author Charles F. Vardeman II |
7 |
|
!! @author Matthew Meineke |
8 |
|
!! @author J. Daniel Gezelter |
9 |
< |
!! @version $Id: neighborLists.F90,v 1.6 2003-09-05 21:28:19 gezelter Exp $, |
9 |
> |
!! @version $Id: neighborLists.F90,v 1.7 2003-10-30 14:11:28 gezelter Exp $, |
10 |
|
|
11 |
|
module neighborLists |
12 |
|
|
168 |
|
!! calculate the largest displacement of any atom in any direction |
169 |
|
|
170 |
|
!! If we have changed the particle idents, then we need to update |
171 |
< |
if (.not. allocated(q0) .or. size(q0,2) /= nlocal) then |
171 |
> |
if (.not. allocated(q0)) then |
172 |
|
update_nlist = .true. |
173 |
|
return |
174 |
|
end if |
175 |
|
|
176 |
+ |
if (size(q0,2) /= nlocal) then |
177 |
+ |
update_nlist = .true. |
178 |
+ |
return |
179 |
+ |
end if |
180 |
|
|
181 |
+ |
|
182 |
|
#ifdef MPI |
183 |
|
|
184 |
|
dispmx_tmp = 0.0E0_DP |