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 |