diff --git a/src/cipsi/selection.irp.f b/src/cipsi/selection.irp.f index 6c1adfde..fd434c1e 100644 --- a/src/cipsi/selection.irp.f +++ b/src/cipsi/selection.irp.f @@ -835,7 +835,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d alpha_h_psi = mat(istate, p1, p2) do jstate=1,N_states - pt2_data % overlap(jstate,istate) += coef(jstate) * alpha_h_psi + pt2_data % overlap(jstate,istate) += coef(jstate) * coef(istate) enddo pt2_data % variance(istate) += alpha_h_psi * alpha_h_psi