| 50 |
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|
| 51 |
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implicit none |
| 52 |
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PRIVATE |
| 53 |
+ |
#define __FORTRAN90 |
| 54 |
+ |
#include "UseTheForce/DarkSide/fInteractionMap.h" |
| 55 |
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|
| 56 |
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logical, save :: force_globals_initialized = .false. |
| 57 |
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|
| 65 |
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real( kind = dp ), allocatable, dimension(:,:), public :: A_Row |
| 66 |
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real( kind = dp ), allocatable, dimension(:,:), public :: A_Col |
| 67 |
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|
| 68 |
< |
real( kind = dp ), allocatable, dimension(:), public :: pot_Row |
| 69 |
< |
real( kind = dp ), allocatable, dimension(:), public :: pot_Col |
| 70 |
< |
real( kind = dp ), allocatable, dimension(:), public :: pot_Temp |
| 68 |
> |
real( kind = dp ), allocatable, dimension(:,:), public :: pot_Row |
| 69 |
> |
real( kind = dp ), allocatable, dimension(:,:), public :: pot_Col |
| 70 |
> |
real( kind = dp ), allocatable, dimension(:,:), public :: pot_Temp |
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real( kind = dp ), allocatable, dimension(:,:), public :: f_Row |
| 72 |
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real( kind = dp ), allocatable, dimension(:,:), public :: f_Col |
| 73 |
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real( kind = dp ), allocatable, dimension(:,:), public :: f_Temp |
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return |
| 163 |
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endif |
| 164 |
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|
| 165 |
< |
allocate(pot_row(nAtomsInRow),stat=alloc_stat) |
| 165 |
> |
allocate(pot_row(POT_ARRAY_SIZE,nAtomsInRow),stat=alloc_stat) |
| 166 |
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if (alloc_stat /= 0 ) then |
| 167 |
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thisStat = -1 |
| 168 |
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return |
| 169 |
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endif |
| 170 |
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|
| 171 |
< |
allocate(pot_Col(nAtomsInCol),stat=alloc_stat) |
| 171 |
> |
allocate(pot_Col(POT_ARRAY_SIZE,nAtomsInCol),stat=alloc_stat) |
| 172 |
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if (alloc_stat /= 0 ) then |
| 173 |
|
thisStat = -1 |
| 174 |
|
return |
| 175 |
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endif |
| 176 |
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|
| 177 |
< |
allocate(pot_Temp(nlocal),stat=alloc_stat) |
| 177 |
> |
allocate(pot_Temp(POT_ARRAY_SIZE,nlocal),stat=alloc_stat) |
| 178 |
|
if (alloc_stat /= 0 ) then |
| 179 |
|
thisStat = -1 |
| 180 |
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return |
