| 695 |
|
iinterface = 0 |
| 696 |
|
|
| 697 |
|
!new stuff here |
| 698 |
< |
#ifdef MPI |
| 699 |
< |
end if |
| 700 |
< |
#else |
| 698 |
> |
|
| 699 |
> |
|
| 700 |
> |
|
| 701 |
|
if (print_vac) then |
| 702 |
|
vac_unit = next_unit() |
| 703 |
|
vac_file = file_prefix(1:machdep_lnblnk(file_prefix))//".vac" |
| 707 |
|
write(vac_unit,*) |
| 708 |
|
|
| 709 |
|
endif |
| 710 |
– |
#endif |
| 710 |
|
|
| 711 |
|
do iz = start_index, nc, 1 |
| 712 |
|
do iy = start_index, nc, 1 |
| 759 |
|
#endif |
| 760 |
|
|
| 761 |
|
!new stuff here |
| 762 |
< |
#ifdef MPI |
| 763 |
< |
endif |
| 762 |
> |
|
| 763 |
> |
|
| 764 |
|
|
| 765 |
< |
#else |
| 765 |
> |
|
| 766 |
|
elseif (print_vac) then |
| 767 |
|
rx = box(1)*(rx - reference) |
| 768 |
|
ry = box(2)*(ry - reference) |
| 771 |
|
|
| 772 |
|
endif |
| 773 |
|
|
| 775 |
– |
|
| 774 |
|
else |
| 775 |
|
!! this will build either a liquid or a cluster |
| 776 |
|
!! without any vacancies |
