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fixed complex kind
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@ -1092,7 +1092,7 @@ subroutine davidson_diag_hjj_sjj_complex(dets_in,u_in,H_jj,s2_out,energies,dim_i
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else
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else
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call h_s2_u_0_nstates_openmp_complex(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_complex(W(1,shift+1),S_d,U(1,shift+1),N_st_diag,sze)
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endif
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endif
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S(1:sze,shift+1:shift+N_st_diag) = cmplx(S_d(1:sze,1:N_st_diag),kind(1.e0))
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S(1:sze,shift+1:shift+N_st_diag) = cmplx(S_d(1:sze,1:N_st_diag))
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else
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else
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! Already computed in update below
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! Already computed in update below
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continue
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continue
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@ -1162,7 +1162,7 @@ subroutine davidson_diag_hjj_sjj_complex(dets_in,u_in,H_jj,s2_out,energies,dim_i
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do i=1,shift2
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do i=1,shift2
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s_(i,j) = (0.d0,0.d0)
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s_(i,j) = (0.d0,0.d0)
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do k=1,sze
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do k=1,sze
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s_(i,j) = s_(i,j) + dconjg(U(k,i)) * cmplx(S(k,j),kind(1.d0))
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s_(i,j) = s_(i,j) + dconjg(U(k,i)) * cmplx(S(k,j))
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enddo
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enddo
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enddo
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enddo
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enddo
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enddo
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@ -1306,7 +1306,7 @@ subroutine davidson_diag_hjj_sjj_complex(dets_in,u_in,H_jj,s2_out,energies,dim_i
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call zgemm('N','N', sze, N_st_diag, shift2, &
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call zgemm('N','N', sze, N_st_diag, shift2, &
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(1.d0,0.d0), W, size(W,1), y, size(y,1), (0.d0,0.d0), W(1,shift2+1), size(W,1))
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(1.d0,0.d0), W, size(W,1), y, size(y,1), (0.d0,0.d0), W(1,shift2+1), size(W,1))
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y_s(:,:) = cmplx(y(:,:),kind(1.e0))
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y_s(:,:) = cmplx(y(:,:))
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call cgemm('N','N', sze, N_st_diag, shift2, &
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call cgemm('N','N', sze, N_st_diag, shift2, &
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(1.e0,0.e0), S, size(S,1), y_s, size(y_s,1), (0.e0,0.e0), S(1,shift2+1), size(S,1))
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(1.e0,0.e0), S, size(S,1), y_s, size(y_s,1), (0.e0,0.e0), S(1,shift2+1), size(S,1))
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@ -1413,7 +1413,7 @@ subroutine davidson_diag_hjj_sjj_complex(dets_in,u_in,H_jj,s2_out,energies,dim_i
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enddo
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enddo
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do j=1,N_st_diag
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do j=1,N_st_diag
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do i=1,sze
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do i=1,sze
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S_d(i,j) = cmplx(S(i,j),kind(1.d0))
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S_d(i,j) = cmplx(S(i,j))
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enddo
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enddo
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enddo
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enddo
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