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Improved convergence of multi-state
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@ -862,7 +862,7 @@ subroutine davidson_diag_hjj_sjj_mrcc(dets_in,u_in,H_jj,S2_jj,energies,dim_in,sz
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enddo
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do k=1,N_st
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cmax = -1.d0
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do i=1,shift2
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do i=1,N_st
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if (overlap(i,k) > cmax) then
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cmax = overlap(i,k)
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order(k) = i
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@ -337,7 +337,7 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,S2_jj,energies,dim_in,sze,N_s
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enddo
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do k=1,N_st
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cmax = -1.d0
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do i=1,N_st_diag
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do i=1,N_st
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if (overlap(i,k) > cmax) then
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cmax = overlap(i,k)
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order(k) = i
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