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subroutine set_gb_pair_params(sigma, l2b_ratio, eps, eps_ratio, mu, nu) |
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|
1 |
> |
subroutine newGBtype(c_ident, sigma, l2b_ratio, eps, eps_ratio, mu, nu, & |
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> |
status) |
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|
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use definitions, ONLY : dp |
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use gb_pair, ONLY : module_set_gb_pair_params => set_gb_pair_params |
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use gayberne, ONLY : module_newGBtype => newGBtype |
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|
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integer, intent(inout) :: c_ident, status |
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real( kind = dp ), intent(inout) :: sigma, l2b_ratio, eps, eps_ratio |
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real( kind = dp ), intent(inout) :: mu, nu |
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|
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call module_set_gb_pair_params(sigma, l2b_ratio, eps, eps_ratio, mu, nu) |
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|
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return |
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end subroutine set_gb_pair_params |
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|
14 |
< |
subroutine completeGayBerneFF(status) |
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< |
use gb_pair, only: complete_GayBerne_FF |
11 |
> |
call module_newGBtype(c_ident, sigma, l2b_ratio, eps, eps_ratio, & |
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> |
mu, nu, status) |
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|
|
17 |
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intent(out) :: status |
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integer :: myStatus |
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|
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myStatus = 0 |
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– |
|
22 |
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call complete_GayBerne_FF(myStatus) |
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– |
|
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status = myStatus |
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– |
|
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return |
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end subroutine completeGayBerneFF |
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> |
end subroutine newGBtype |
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|
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subroutine destroyGayBerneTypes() |
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> |
subroutine destroyGBTypes() |
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use gayberne, ONLY: module_destroyGBTypes => destroyGBTypes |
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|
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< |
use gb_pair, only: module_destroyGayBerneTypes => destroyGayBerneTypes |
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< |
call module_destroyGayBerneTypes() |
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< |
|
34 |
< |
end subroutine destroyGayBerneTypes |
20 |
> |
call module_destroyGBTypes() |
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> |
|
22 |
> |
end subroutine destroyGBTypes |