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Corrected bug in CISD selected
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@ -41,8 +41,8 @@ program cisd
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N_det = min(N_det,N_det_max)
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N_det = min(N_det,N_det_max)
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touch N_det psi_det psi_coef
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touch N_det psi_det psi_coef
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call diagonalize_CI
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call diagonalize_CI
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deallocate(pt2,norm_pert,H_pert_diag)
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call save_wavefunction
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call save_wavefunction
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call ezfio_set_cisd_selected_energy(CI_energy)
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call ezfio_set_cisd_selected_energy(CI_energy)
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call ezfio_set_cisd_selected_energy_pt2(CI_energy+pt2)
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call ezfio_set_cisd_selected_energy_pt2(CI_energy+pt2)
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deallocate(pt2,norm_pert,H_pert_diag)
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end
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end
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