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Cleaned output of CISD SC2
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@ -93,12 +93,11 @@ program cisd_sc2_selected
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print *, 'E_before(SC2)+PT2(SC2) = ', CI_SC2_energy(i)+pt2(i)
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print *, 'E_before(SC2)+PT2(SC2)_new = ', CI_SC2_energy(i)+pt2(i)* (1.d0 + norm_pert) - H_pert_diag(i)
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print*,'greater coeficient of the state : ',dabs(psi_coef(imax,i))
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print*,'Largest coefficient of the state : ',dabs(psi_coef(imax,i))
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call get_excitation_degree(ref_bitmask,psi_det(1,1,imax),degree,N_int)
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print*,'degree of excitation of such determinant : ',degree
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print*,'Degree of excitation of this determinant : ',degree
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enddo
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print*,'coucou'
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endif
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call save_wavefunction
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deallocate(pt2,norm_pert,H_pert_diag)
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