695 |
|
iinterface = 0 |
696 |
|
|
697 |
|
!new stuff here |
698 |
+ |
#ifdef MPI |
699 |
+ |
end if |
700 |
+ |
#else |
701 |
+ |
if (print_vac) then |
702 |
+ |
vac_unit = next_unit() |
703 |
+ |
vac_file = file_prefix(1:machdep_lnblnk(file_prefix))//".vac" |
704 |
+ |
open (unit = vac_unit, status = 'replace', file = vac_file) |
705 |
|
|
706 |
< |
if (print_vac) then |
707 |
< |
vac_unit = next_unit() |
701 |
< |
vac_file = file_prefix(1:machdep_lnblnk(file_prefix))//".vac" |
702 |
< |
open (unit = vac_unit, status = 'replace', file = vac_file) |
706 |
> |
write(vac_unit,*) n_vacancy |
707 |
> |
write(vac_unit,*) |
708 |
|
|
709 |
< |
write(vac_unit,*) n_vacancy |
710 |
< |
write(vac_unit,*) |
709 |
> |
endif |
710 |
> |
#endif |
711 |
|
|
707 |
– |
endif |
708 |
– |
|
712 |
|
do iz = start_index, nc, 1 |
713 |
|
do iy = start_index, nc, 1 |
714 |
|
do ix = start_index, nc, 1 |
760 |
|
#endif |
761 |
|
|
762 |
|
!new stuff here |
763 |
+ |
#ifdef MPI |
764 |
+ |
endif |
765 |
+ |
|
766 |
+ |
#else |
767 |
|
elseif (print_vac) then |
768 |
|
rx = box(1)*(rx - reference) |
769 |
|
ry = box(2)*(ry - reference) |
772 |
|
|
773 |
|
endif |
774 |
|
|
775 |
+ |
|
776 |
|
else |
777 |
|
!! this will build either a liquid or a cluster |
778 |
|
!! without any vacancies |