From ef803c02472ff8a0c2f87ead5feafeb364c8ccbe Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ond=C5=99ej=20=C4=8Cert=C3=ADk?= Date: Wed, 25 Oct 2023 10:35:28 -0600 Subject: [PATCH] NN --- tests/rlda/uraninum_rlda.f90 | 16 +--------------- 1 file changed, 1 insertion(+), 15 deletions(-) diff --git a/tests/rlda/uraninum_rlda.f90 b/tests/rlda/uraninum_rlda.f90 index 3c8b8e3..4d0aad7 100644 --- a/tests/rlda/uraninum_rlda.f90 +++ b/tests/rlda/uraninum_rlda.f90 @@ -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 @@ -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)) @@ -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