mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-24 12:33:30 +01:00
99 lines
2.6 KiB
Fortran
99 lines
2.6 KiB
Fortran
|
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_mu_r1(3),j_bump
|
||
|
|
double precision :: jast_p,jast_m,num_grad_jast_mu_r1(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 grad_j_sum_mu_of_r(r1,r2,jast,grad_jast_mu_r1)
|
||
|
|
call get_grad_j_bump_mu_of_r(r1,r2,grad_jast_mu_r1)
|
||
|
|
double precision :: norm,error
|
||
|
|
norm = 0.D0
|
||
|
|
do k = 1, 3
|
||
|
|
r1bis= r1
|
||
|
|
r1bis(k) += dr
|
||
|
|
jast_p = j_bump(r1bis,r2,a_boys)
|
||
|
|
|
||
|
|
r1bis= r1
|
||
|
|
r1bis(k) -= dr
|
||
|
|
jast_m = j_bump(r1bis,r2,a_boys)
|
||
|
|
|
||
|
|
num_grad_jast_mu_r1(k) = (jast_p - jast_m)/(2.d0* dr)
|
||
|
|
norm += num_grad_jast_mu_r1(k)*num_grad_jast_mu_r1(k)
|
||
|
|
enddo
|
||
|
|
error = 0.d0
|
||
|
|
do k = 1, 3
|
||
|
|
error += dabs(grad_jast_mu_r1(k) - num_grad_jast_mu_r1(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_mu_r1
|
||
|
|
print*,num_grad_jast_mu_r1
|
||
|
|
endif
|
||
|
|
endif
|
||
|
|
do k = 1,3
|
||
|
|
accu_grad(k) += weight * dabs(grad_jast_mu_r1(k) - num_grad_jast_mu_r1(k))
|
||
|
|
enddo
|
||
|
|
enddo
|
||
|
|
print*,'accu_grad = '
|
||
|
|
print*, accu_grad
|
||
|
|
|
||
|
|
end
|
||
|
|
|
||
|
|
subroutine routine_test_mu_of_r
|
||
|
|
implicit none
|
||
|
|
integer :: ipoint,k
|
||
|
|
double precision :: weight, dr, r1(3), r1bis(3),accu_grad(3),num_grad_mu_r1(3)
|
||
|
|
double precision :: mu_r1,dm_r1, mu_der_r1(3), grad_dm_r1(3)
|
||
|
|
double precision :: mu_der_rp(3), grad_dm_rp(3),mu_rp
|
||
|
|
double precision :: mu_der_rm(3), grad_dm_rm(3),mu_rm
|
||
|
|
|
||
|
|
dr = 0.0001d0
|
||
|
|
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 grad_mu_of_r_mean_field(r1,mu_r1,dm_r1, mu_der_r1, grad_dm_r1)
|
||
|
|
do k = 1, 3
|
||
|
|
r1bis= r1
|
||
|
|
r1bis(k) += dr
|
||
|
|
call grad_mu_of_r_mean_field(r1bis,mu_rp, dm_r1, mu_der_rp, grad_dm_r1)
|
||
|
|
|
||
|
|
r1bis= r1
|
||
|
|
r1bis(k) -= dr
|
||
|
|
call grad_mu_of_r_mean_field(r1bis,mu_rm, dm_r1, mu_der_rm, grad_dm_r1)
|
||
|
|
num_grad_mu_r1(k) = (mu_rp - mu_rm)/(2.d0* dr)
|
||
|
|
! print*,jast_mu_r1_p,jast_mu_r1_m
|
||
|
|
enddo
|
||
|
|
print*,'/////'
|
||
|
|
print*,mu_der_r1
|
||
|
|
print*,num_grad_mu_r1
|
||
|
|
do k = 1,3
|
||
|
|
accu_grad(k) += weight * dabs(mu_der_r1(k) - num_grad_mu_r1(k))
|
||
|
|
enddo
|
||
|
|
enddo
|
||
|
|
print*,'accu_grad = '
|
||
|
|
print*, accu_grad
|
||
|
|
|
||
|
|
end
|