diff --git a/src/davidson/diagonalization_hcfg.irp.f b/src/davidson/diagonalization_hcfg.irp.f index d2050bc7..659602a1 100644 --- a/src/davidson/diagonalization_hcfg.irp.f +++ b/src/davidson/diagonalization_hcfg.irp.f @@ -334,14 +334,6 @@ subroutine davidson_diag_cfg_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N call calculate_sigma_vector_cfg_nst_naive_store(tmpW,tmpU,N_st_diag,sze_csf,1,sze_csf,0,1) !ticks_1 = irp_rdtsc() !print *,' ----Cycles:',(ticks_1-ticks_0)/dble(irp_imax)," ----" - !print *,' tmpW(1,2)=',tmpW(1,2) - !do ii=1,sze - ! if (dabs(tmpW(1,ii)) > 1e-18) then - ! print *,tmpW(1,ii) - ! print *,ii,"somo=",psi_configuration(1,1,ii)," domo=",psi_configuration(1,2,ii) - ! endif - !end do - !stop do kk=1,N_st_diag do ii=1,sze_csf W_csf(ii,shift+kk)=tmpW(kk,ii) diff --git a/src/davidson/diagonalization_hs2_dressed.irp.f b/src/davidson/diagonalization_hs2_dressed.irp.f index cd98c925..816f16ec 100644 --- a/src/davidson/diagonalization_hs2_dressed.irp.f +++ b/src/davidson/diagonalization_hs2_dressed.irp.f @@ -361,19 +361,9 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,s2_out,energies,dim_in,sze,N_ integer*8 :: irp_imax irp_imax = 1 !ticks_0 = irp_rdtsc() - !U = 0d0 - !U(4587,1)=1.0d0 call H_S2_u_0_nstates_openmp(W(1,shift+1),S_d,U(1,shift+1),N_st_diag,sze) !ticks_1 = irp_rdtsc() !print *,' ----Cycles:',(ticks_1-ticks_0)/dble(irp_imax)," ----" - !print *,' tmpW(4587,1)=',W(4587,1) - !do ii=1,sze - ! if (dabs(W(ii,1)) > 1e-18) then - ! print *,W(ii,1) - ! print *,ii,"alpha=",psi_det(1,1,ii)," beta=",psi_det(1,2,ii) - ! endif - !end do - !stop endif S(1:sze,shift+1:shift+N_st_diag) = real(S_d(1:sze,1:N_st_diag)) ! else