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