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All tests are passing for N_Int == 1.
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@ -334,14 +334,6 @@ subroutine davidson_diag_cfg_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
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call calculate_sigma_vector_cfg_nst_naive_store(tmpW,tmpU,N_st_diag,sze_csf,1,sze_csf,0,1)
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call calculate_sigma_vector_cfg_nst_naive_store(tmpW,tmpU,N_st_diag,sze_csf,1,sze_csf,0,1)
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!ticks_1 = irp_rdtsc()
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!ticks_1 = irp_rdtsc()
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!print *,' ----Cycles:',(ticks_1-ticks_0)/dble(irp_imax)," ----"
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!print *,' ----Cycles:',(ticks_1-ticks_0)/dble(irp_imax)," ----"
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!print *,' tmpW(1,2)=',tmpW(1,2)
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!do ii=1,sze
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! if (dabs(tmpW(1,ii)) > 1e-18) then
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! print *,tmpW(1,ii)
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! print *,ii,"somo=",psi_configuration(1,1,ii)," domo=",psi_configuration(1,2,ii)
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! endif
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!end do
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!stop
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do kk=1,N_st_diag
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do kk=1,N_st_diag
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do ii=1,sze_csf
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do ii=1,sze_csf
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W_csf(ii,shift+kk)=tmpW(kk,ii)
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W_csf(ii,shift+kk)=tmpW(kk,ii)
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@ -361,19 +361,9 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,s2_out,energies,dim_in,sze,N_
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integer*8 :: irp_imax
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integer*8 :: irp_imax
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irp_imax = 1
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irp_imax = 1
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!ticks_0 = irp_rdtsc()
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!ticks_0 = irp_rdtsc()
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!U = 0d0
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!U(4587,1)=1.0d0
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call H_S2_u_0_nstates_openmp(W(1,shift+1),S_d,U(1,shift+1),N_st_diag,sze)
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call H_S2_u_0_nstates_openmp(W(1,shift+1),S_d,U(1,shift+1),N_st_diag,sze)
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!ticks_1 = irp_rdtsc()
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!ticks_1 = irp_rdtsc()
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!print *,' ----Cycles:',(ticks_1-ticks_0)/dble(irp_imax)," ----"
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!print *,' ----Cycles:',(ticks_1-ticks_0)/dble(irp_imax)," ----"
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!print *,' tmpW(4587,1)=',W(4587,1)
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!do ii=1,sze
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! if (dabs(W(ii,1)) > 1e-18) then
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! print *,W(ii,1)
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! print *,ii,"alpha=",psi_det(1,1,ii)," beta=",psi_det(1,2,ii)
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! endif
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!end do
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!stop
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endif
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endif
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S(1:sze,shift+1:shift+N_st_diag) = real(S_d(1:sze,1:N_st_diag))
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S(1:sze,shift+1:shift+N_st_diag) = real(S_d(1:sze,1:N_st_diag))
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! else
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! else
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