program plot_j implicit none double precision :: r1(3),rI(3),r2(3) double precision :: r12,dx,xmax, j_1e,j_2e,j_een,j_tot double precision :: j_mu_F_x_j integer :: i,nx,m,i_charge,sm_j character*(128) :: output integer :: i_unit_output_He_sm_7,i_unit_output_Ne_sm_7 integer :: i_unit_output_He_sm_17,i_unit_output_Ne_sm_17 integer :: getUnitAndOpen output='J_SM_7_He' i_unit_output_He_sm_7 = getUnitAndOpen(output,'w') output='J_SM_7_Ne' i_unit_output_Ne_sm_7 = getUnitAndOpen(output,'w') output='J_SM_17_He' i_unit_output_He_sm_17 = getUnitAndOpen(output,'w') output='J_SM_17_Ne' i_unit_output_Ne_sm_17 = getUnitAndOpen(output,'w') rI = 0.d0 r1 = 0.d0 r2 = 0.d0 r1(1) = 1.5d0 xmax = 20.d0 r2(1) = -xmax*0.5d0 nx = 1000 dx = xmax/dble(nx) do i = 1, nx r12 = 0.d0 do m = 1, 3 r12 += (r1(m) - r2(m))*(r1(m) - r2(m)) enddo r12 = dsqrt(r12) double precision :: jmu,env_nucl,jmu_env,jmu_scaled, jmu_scaled_env double precision :: b_I,d_I,r_inucl,r_jnucl,r_ij b_I = 1.D0 d_I = 1.D0 call get_rescaled_variables_j_sm_90(r1,r2,rI,b_I,d_I,r_inucl,r_jnucl,r_ij) jmu=j_mu_F_x_j(r12) jmu_scaled=j_mu_F_x_j(r_ij) jmu_env = jmu * env_nucl(r1) * env_nucl(r2) ! jmu_scaled_env= jmu_scaled * (1.d0 - env_coef(1) * dexp(-env_expo(1)*r_inucl**2)) * (1.d0 - env_coef(1) * dexp(-env_expo(1)*r_jnucl**2)) jmu_scaled_env= jmu_scaled * env_nucl(r1) * env_nucl(r2) ! He i_charge = 2 ! SM 7 Jastrow sm_j = 7 call get_full_sm_90_jastrow(r1,r2,rI,sm_j,i_charge, j_1e,j_2e,j_een,j_tot) write(i_unit_output_He_sm_7,'(100(F16.10,X))')r2(1),r12,j_mu_F_x_j(r12), j_1e,j_2e,j_een,j_tot,jmu_env,jmu_scaled,jmu_scaled_env ! SM 17 Jastrow sm_j = 17 call get_full_sm_90_jastrow(r1,r2,rI,sm_j,i_charge, j_1e,j_2e,j_een,j_tot) write(i_unit_output_He_sm_17,'(100(F16.10,X))')r2(1),r12,j_mu_F_x_j(r12), j_1e,j_2e,j_een,j_tot,jmu_env,jmu_scaled,jmu_scaled_env ! Ne i_charge = 10 ! SM 7 Jastrow sm_j = 7 call get_full_sm_90_jastrow(r1,r2,rI,sm_j,i_charge, j_1e,j_2e,j_een,j_tot) write(i_unit_output_Ne_sm_7,'(100(F16.10,X))')r2(1),r12,j_mu_F_x_j(r12), j_1e,j_2e,j_een,j_tot,jmu_env,jmu_scaled,jmu_scaled_env ! SM 17 Jastrow sm_j = 17 call get_full_sm_90_jastrow(r1,r2,rI,sm_j,i_charge, j_1e,j_2e,j_een,j_tot) write(i_unit_output_Ne_sm_17,'(100(F16.10,X))')r2(1),r12,j_mu_F_x_j(r12), j_1e,j_2e,j_een,j_tot,jmu_env,jmu_scaled,jmu_scaled_env r2(1) += dx enddo end