250 |
|
subroutine allocateEAM(status) |
251 |
|
integer, intent(out) :: status |
252 |
|
|
253 |
– |
integer :: nlocal |
253 |
|
#ifdef IS_MPI |
254 |
|
integer :: nrow |
255 |
|
integer :: ncol |
257 |
|
integer :: alloc_stat |
258 |
|
|
259 |
|
|
261 |
– |
nlocal = getNlocal() |
260 |
|
status = 0 |
261 |
|
#ifdef IS_MPI |
262 |
|
nrow = getNrow(plan_row) |
656 |
|
integer, intent(in) :: atom1, atom2 |
657 |
|
real( kind = dp ), intent(in) :: rij, r2 |
658 |
|
real( kind = dp ) :: pot |
659 |
< |
real( kind = dp ), dimension(3,getNlocal()) :: f |
659 |
> |
real( kind = dp ), dimension(3,nLocal) :: f |
660 |
|
real( kind = dp ), intent(in), dimension(3) :: d |
661 |
|
logical, intent(in) :: do_pot, do_stress |
662 |
|
|