| 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 |
|
|