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QuantumPackage/plugins/local/non_h_ints_mu/plot_j_gauss.irp.f

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1.7 KiB
Fortran
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2024-09-05 22:01:22 +02:00
program plot_j_gauss
implicit none
double precision :: xmin, xmax, x, dx
double precision :: mu_min, mu_max, mu, d_mu
double precision :: pot_j_gauss,j_mu_simple,j_gauss_simple,pot_j_mu
double precision, allocatable :: mu_tab(:),j_mu(:),j_mu_gauss(:)
double precision, allocatable :: w_mu(:), w_mu_gauss(:)
character*(128) :: output
integer :: getUnitAndOpen
integer :: i_unit_output_wee_gauss,i_unit_output_wee_mu
integer :: i_unit_output_j_gauss,i_unit_output_j_mu
output=trim(ezfio_filename)//'.w_ee_mu_gauss'
i_unit_output_wee_gauss = getUnitAndOpen(output,'w')
output=trim(ezfio_filename)//'.w_ee_mu'
i_unit_output_wee_mu = getUnitAndOpen(output,'w')
output=trim(ezfio_filename)//'.j_mu_gauss'
i_unit_output_j_gauss = getUnitAndOpen(output,'w')
output=trim(ezfio_filename)//'.j_mu'
i_unit_output_j_mu = getUnitAndOpen(output,'w')
integer :: npt, i, j, n_mu
n_mu = 3
allocate(mu_tab(n_mu),j_mu(n_mu),j_mu_gauss(n_mu),w_mu(n_mu), w_mu_gauss(n_mu))
mu_min = 0.5d0
mu_max = 2.d0
d_mu = (mu_max - mu_min)/dble(n_mu)
mu = mu_min
do i = 1, n_mu
mu_tab(i) = mu
print*,'mu = ',mu
mu += d_mu
enddo
mu_tab(1) = 0.9d0
mu_tab(2) = 0.95d0
mu_tab(3) = 1.d0
xmin = 0.01d0
xmax = 10.d0
npt = 1000
dx = (xmax - xmin)/dble(npt)
x = xmin
do i = 1, npt
do j = 1, n_mu
mu = mu_tab(j)
w_mu_gauss(j) = pot_j_gauss(x,mu)
w_mu(j) = pot_j_mu(x,mu)
j_mu(j) = j_mu_simple(x,mu)
j_mu_gauss(j) = j_gauss_simple(x,mu) + j_mu(j)
enddo
write(i_unit_output_wee_gauss,'(100(F16.10,X))')x,w_mu_gauss(:)
write(i_unit_output_wee_mu,'(100(F16.10,X))')x,w_mu(:)
write(i_unit_output_j_gauss,'(100(F16.10,X))')x,j_mu_gauss(:)
write(i_unit_output_j_mu,'(100(F16.10,X))')x,j_mu(:)
x += dx
enddo
end