43 lines
1.2 KiB
Fortran
43 lines
1.2 KiB
Fortran
double precision function primitive_value_explicit(power_prim,center_prim,alpha,r)
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implicit none
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BEGIN_DOC
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! Evaluates at "r" a primitive of type :
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! (x - center_prim(1))**power_prim(1) (y - center_prim(2))**power_prim(2) * (z - center_prim(3))**power_prim(3)
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!
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! exp(-alpha * [(x - center_prim(1))**2 + (y - center_prim(2))**2 + (z - center_prim(3))**2] )
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END_DOC
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integer, intent(in) :: power_prim(3)
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double precision, intent(in) :: center_prim(3),alpha
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double precision, intent(in) :: r(3)
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double precision :: dx,dy,dz,r2
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dx = (r(1) - center_prim(1))
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dy = (r(2) - center_prim(2))
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dz = (r(3) - center_prim(3))
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r2 = dx*dx + dy*dy + dz*dz
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dx = dx**power_prim(1)
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dy = dy**power_prim(2)
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dz = dz**power_prim(3)
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primitive_value_explicit = dexp(-alpha*r2) * dx * dy * dz
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end
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double precision function give_pol_in_r(r,pol,center, alpha,iorder, max_dim)
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implicit none
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integer, intent(in) :: iorder(3), max_dim
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double precision :: r(3), center(3), alpha,pol(0:max_dim,3)
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integer :: i,m
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double precision :: gauss(3), x
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gauss = 0.d0
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do m = 1, 3
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x = r(m) - center(m)
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do i = 0, iorder(m)
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gauss(m) += pol(i,m) * dexp(-alpha *x*x ) * x**i
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enddo
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enddo
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give_pol_in_r = gauss(1) * gauss(2) * gauss(3)
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end
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