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Corrected S2 in davidson

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This commit is contained in:
Anthony Scemama 2016-09-29 22:34:40 +02:00
parent e3114aa566
commit 7219dda33b
1 changed files with 1 additions and 1 deletions
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src/Davidson/diagonalization_hs2.irp.f
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@ -270,7 +270,7 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,S2_jj,energies,dim_in,sze,N_s
! ----------------------- ! -----------------------
do k=1,N_st_diag do k=1,N_st_diag
s2(k) = u_dot_v(U(1,k,iter+1), S(1,k,iter+1), sze) s2(k) = u_dot_v(U(1,k,iter+1), S(1,k,iter+1), sze) + S_z2_Sz
enddo enddo
do k=1,N_st_diag do k=1,N_st_diag