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subroutine set_gb_pair_params(sigma, l2b_ratio, eps, eps_ratio, mu, nu) |
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subroutine newGBtype(c_ident, d, l, eps, eps_ratio, dw, status) |
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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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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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integer, intent(inout) :: c_ident, status |
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real( kind = dp ), intent(inout) :: d, l, eps, eps_ratio, dw |
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call module_set_gb_pair_params(sigma, l2b_ratio, eps, eps_ratio, mu, nu) |
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call module_newGBtype(c_ident, d, l, eps, eps_ratio, dw, status) |
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return |
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end subroutine newGBtype |
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end subroutine set_gb_pair_params |
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subroutine completeGBFF(status) |
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use gayberne, only: complete_GB_FF |
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integer, intent(out) :: status |
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integer :: myStatus |
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myStatus = 0 |
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call complete_GB_FF(myStatus) |
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status = myStatus |
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return |
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end subroutine completeGBFF |
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subroutine destroyGBTypes() |
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use gayberne, ONLY: module_destroyGBTypes => destroyGBTypes |
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call module_destroyGBTypes() |
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end subroutine destroyGBTypes |
