| 6 |
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!! @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 |
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module neighborLists |
| 12 |
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|
| 168 |
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!! calculate the largest displacement of any atom in any direction |
| 169 |
|
|
| 170 |
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!! 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 |
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|
| 184 |
|
dispmx_tmp = 0.0E0_DP |
