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fixed bug?

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Kevin Gasperich 2020-03-16 11:16:41 -05:00
parent b547d97452
commit 072067c4fa
1 changed files with 1 additions and 1 deletions
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src/davidson/u0_h_u0.irp.f
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@ -755,7 +755,7 @@ subroutine u_0_H_u_0_complex(e_0,s_0,u_0,n,keys_tmp,Nint,N_st,sze)
do istate = 1,N_st
do j=1,n
do i=1,n
v_0(i,istate) = v_0(i,istate) + h_matrix_all_dets(i,j) * u_0(j,istate)
v_0(i,istate) = v_0(i,istate) + h_matrix_all_dets_complex(i,j) * u_0(j,istate)
s_vec(i,istate) = s_vec(i,istate) + S2_matrix_all_dets(i,j) * u_0(j,istate)
enddo
enddo