10 |
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PRIVATE |
11 |
|
|
12 |
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logical, save :: force_globals_initialized = .false. |
13 |
– |
integer, save :: natoms |
13 |
|
|
14 |
|
#ifdef IS_MPI |
15 |
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real( kind = dp ), allocatable, dimension(:,:), public :: q_Row |
42 |
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real(kind = dp), public :: virial_Temp = 0.0_dp |
43 |
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|
44 |
|
public :: InitializeForceGlobals |
46 |
– |
public :: getNlocal |
45 |
|
|
46 |
|
contains |
47 |
|
|
53 |
|
integer :: alloc_stat |
54 |
|
|
55 |
|
thisStat = 0 |
58 |
– |
natoms = nlocal |
56 |
|
|
57 |
|
#ifdef IS_MPI |
58 |
|
nrow = getNrow(plan_row) |
234 |
|
#endif |
235 |
|
|
236 |
|
end subroutine FreeForceGlobals |
237 |
< |
|
241 |
< |
pure function getNlocal() result(nlocal) |
242 |
< |
integer :: nlocal |
243 |
< |
nlocal = natoms |
244 |
< |
end function getNlocal |
245 |
< |
|
237 |
> |
|
238 |
|
end module force_globals |