| 1 |
< |
subroutine newLJtype(c_ident, sigma, epsilon, status) |
| 1 |
> |
subroutine newLJtype(c_ident, sigma, epsilon, soft_pot, status) |
| 2 |
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use lj, ONLY : module_newLJtype => newLJtype |
| 3 |
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integer, parameter :: DP = selected_real_kind(15) |
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integer,intent(inout) :: c_ident |
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real(kind=dp),intent(inout) :: sigma |
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real(kind=dp),intent(inout) :: epsilon |
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+ |
integer,intent(inout) :: soft_pot |
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integer,intent(inout) :: status |
| 9 |
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|
| 10 |
< |
call module_newLJtype(c_ident, sigma, epsilon, status) |
| 10 |
> |
call module_newLJtype(c_ident, sigma, epsilon, soft_pot, status) |
| 11 |
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|
| 12 |
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end subroutine newLJtype |
| 13 |
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|
| 17 |
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call module_useGeometricMixing() |
| 18 |
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return |
| 19 |
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end subroutine useGeometricMixing |
| 20 |
+ |
|
| 21 |
+ |
subroutine destroyLJTypes() |
| 22 |
+ |
use lj, ONLY: module_destroyLJTypes => destroyLJTypes |
| 23 |
+ |
|
| 24 |
+ |
call module_destroyLJTypes() |
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+ |
|
| 26 |
+ |
end subroutine destroyLJTypes |
