| 21 |
|
|
| 22 |
|
logical, save :: simulation_setup_complete = .false. |
| 23 |
|
|
| 24 |
< |
integer :: natoms |
| 24 |
> |
integer, public, save :: natoms |
| 25 |
|
integer, public, save :: nExcludes_Global = 0 |
| 26 |
|
integer, public, save :: nExcludes_Local = 0 |
| 27 |
|
integer, allocatable, dimension(:,:), public :: excludesLocal |
| 34 |
|
|
| 35 |
|
|
| 36 |
|
public :: SimulationSetup |
| 37 |
+ |
public :: getNlocal |
| 38 |
|
public :: setBox |
| 39 |
|
public :: getBox |
| 40 |
|
public :: setRcut |
| 370 |
|
if (allocated(excludesLocal)) deallocate(excludesLocal) |
| 371 |
|
|
| 372 |
|
end subroutine FreeSimGlobals |
| 373 |
+ |
|
| 374 |
+ |
pure function getNlocal() result(nlocal) |
| 375 |
+ |
integer :: nlocal |
| 376 |
+ |
nlocal = natoms |
| 377 |
+ |
end function getNlocal |
| 378 |
+ |
|
| 379 |
|
|
| 380 |
|
end module simulation |
