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