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certik committed Oct 25, 2023
1 parent 9fa14db commit ef803c0
Showing 1 changed file with 1 addition and 15 deletions.
16 changes: 1 addition & 15 deletions tests/rlda/uraninum_rlda.f90
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ program conv_rlda
integer :: Z = 92 ! Uraninum
! Mesh parameters:
real(dp), parameter :: r_min = 1e-8_dp, r_max = 50.0_dp, a = 6.2e7_dp
integer :: NN
integer, parameter :: NN = 5269

! 1986 CODATA -4223.41902095
real(dp), parameter :: c = 137.0359895_dp
Expand Down Expand Up @@ -68,7 +68,6 @@ program conv_rlda
print *, "Test eps:", eps
Z = 92
n_orb = size(ks_energies_exact)
NN = get_N(Z, p)
allocate(ks_energies(n_orb), no(n_orb), &
lo(n_orb), fo(n_orb), orbitals(NN+1, n_orb), R(NN+1), V_tot(NN+1), &
density(NN+1), so(n_orb), Rp(NN+1))
Expand All @@ -91,17 +90,4 @@ program conv_rlda
if (err > eps) call stop_error("err > eps")
end do

contains

integer function get_N(Z, p) result(N)
integer, intent(in) :: Z, p
integer :: fZ, u
open(newunit(u), file="data" // str(p) // ".dat", status="old")
read(u, *) fZ, N
do while (fZ /= Z)
read(u, *) fZ, N
end do
close(u)
end function

end program

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