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63 lines
1.4 KiB
Fortran
63 lines
1.4 KiB
Fortran
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program test_j_mu_of_r
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implicit none
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! call routine_test_mu_of_r
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call routine_test_mu_of_r_tot
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end
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subroutine routine_test_mu_of_r_tot
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implicit none
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integer :: ipoint,k
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double precision :: r2(3), weight, dr, r1(3), r1bis(3)
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double precision :: accu_grad(3)
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double precision :: jast,grad_jast(3),j_bump,j12_mu
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double precision :: jast_p,jast_m,num_grad_jast(3)
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dr = 0.00001d0
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r2 = 0.d0
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r2(1) = 0.5d0
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r2(2) = -0.1d0
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r2(3) = 1.0d0
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accu_grad = 0.d0
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do ipoint = 1, n_points_final_grid
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r1(1:3) = final_grid_points(1:3,ipoint)
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weight = final_weight_at_r_vector(ipoint)
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call grad1_j12_mu(r1, r2, grad_jast)
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grad_jast = - grad_jast
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double precision :: norm,error
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norm = 0.D0
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do k = 1, 3
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r1bis= r1
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r1bis(k) += dr
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jast_p = j12_mu(r1bis, r2)
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r1bis= r1
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r1bis(k) -= dr
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jast_m = j12_mu(r1bis, r2)
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num_grad_jast(k) = (jast_p - jast_m)/(2.d0* dr)
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norm += num_grad_jast(k)*num_grad_jast(k)
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enddo
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error = 0.d0
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do k = 1, 3
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error += dabs(grad_jast(k) - num_grad_jast(k))
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enddo
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error *= 0.33333333d0
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norm = dsqrt(norm)
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if(norm.gt.1.d-05)then
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if(dabs(error/norm).gt.dr)then
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print*,'/////'
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print*,error,norm
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print*,grad_jast
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print*,num_grad_jast
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endif
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endif
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do k = 1,3
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accu_grad(k) += weight * dabs(grad_jast(k) - num_grad_jast(k))
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enddo
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enddo
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print*,'accu_grad = '
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print*, accu_grad
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end
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