diff --git a/src/cisd/lccsd_prov.irp.f b/src/cisd/lccsd_prov.irp.f index b071a8f8..38149ac9 100644 --- a/src/cisd/lccsd_prov.irp.f +++ b/src/cisd/lccsd_prov.irp.f @@ -31,7 +31,9 @@ print*,'ecorr = ',ecorr Dress_jj(1) = 0.d0 do i = 2, N_det - Dress_jj(i) = ecorr + if(ecorr + H_jj(i) .gt. H_jj(1))then + Dress_jj(i) = ecorr + endif enddo eafter = lccsd_energies(1) converged = (dabs(eafter - ebefore).lt.thresh)