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@ -90,8 +90,8 @@ subroutine davidson_process(blockb, blocke, N, idx, vt, st, bs)
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vt (:,ii) = 0d0
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st (:,ii) = 0d0
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end if
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! call daxpy(N_states_diag,hij,dav_ut(1,org_j),1,vt(1,org_i),1)
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! call daxpy(N_states_diag,s2, dav_ut(1,org_j),1,st(1,org_i),1)
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! call daxpy(N_states_diag,hij,dav_ut(1,org_j),1,vt(1,ii),1)
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! call daxpy(N_states_diag,s2, dav_ut(1,org_j),1,st(1,ii),1)
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do istate=1,N_states_diag
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vt (istate,ii) += hij*dav_ut(istate,org_j)
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st (istate,ii) += s2*dav_ut(istate,org_j)
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@ -240,9 +240,9 @@ subroutine add_integrals_to_map(mask_ijkl)
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exit
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endif
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bielec_tmp_1(i) = c*bielec_tmp_3(i,j0,k0)
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enddo
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do i = 1, min(k,j1-i1)
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! enddo
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!
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! do i = 1, min(k,j1-i1)
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if (abs(bielec_tmp_1(i)) < mo_integrals_threshold) then
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cycle
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endif
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