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Fixed u0Hu0

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This commit is contained in:
Anthony Scemama 2019-02-05 12:02:50 +01:00
parent 60255980e9
commit e7267463c8
1 changed files with 2 additions and 2 deletions
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4
src/davidson/u0_h_u0.irp.f
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@ -57,8 +57,8 @@ subroutine u_0_H_u_0(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) = h_matrix_all_dets(i,j) * u_0(j,istate)
s_vec(i,istate) = S2_matrix_all_dets(i,j) * u_0(j,istate)
v_0(i,istate) = v_0(i,istate) + h_matrix_all_dets(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
enddo