[CSC 435] Diffusion Assistance

[Andrew J. Pounds]

So apparently you guys can't get the diffusion code to work using the 3D 
Jacobi update algorithm.  Since you are using a cube and the dx=dy=dz, 
you can do something like this... which is a simple extension of 
equation 3.7 in your text to 3D

scalar = diffusion_coefficient * timestep / distance_between_blocks**2

    do i = 1, msize
       do j = 1, msize
           do k = 1, msize
               tempbox(k,j,i) = box(k,j,i) + &
                            (  ( box(k,j,i-1) + box(k,j,i+1) - 2.0D0* 
box(k,j,i)) &
                                     * mask(k,j,i-1) * mask(k,j,i+1)  +  &
                               ( box(k,j-1,i) + box(k,j+1,i) - 2.0D0* 
box(k,j,i)) &
                                     * mask(k,j-1,i) * mask(k,j+1,i)  +  &
                               ( box(k-1,j,i) + box(k+1,j,i) - 2.0D0* 
box(k,j,i)) &
                                     * mask(k-1,j,i) * mask(k+1,j,i)  )  &
                             * scalar
           end do
       end do
    end do


Hope that helps...


-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627
http://faculty.mercer.edu/pounds_aj

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