diff --git a/src/davidson/diagonalization_hs2_dressed.irp.f b/src/davidson/diagonalization_hs2_dressed.irp.f index a94bec2e..9926dd37 100644 --- a/src/davidson/diagonalization_hs2_dressed.irp.f +++ b/src/davidson/diagonalization_hs2_dressed.irp.f @@ -1070,9 +1070,10 @@ subroutine davidson_diag_hjj_sjj_complex(dets_in,u_in,H_jj,s2_out,energies,dim_i r1 = dsqrt(-2.d0*dlog(r1)) r2 = dtwo_pi*r2 !todo: real or complex? rescale for complex? sqrt(2)? - !u_in(i,k) = dcmplx(r1*dcos(r2),0.d0) - u_in(i,k) = dcmplx(r1*dcos(r2),r1*dsin(r2)) + u_in(i,k) = dcmplx(r1*dcos(r2),0.d0) + !u_in(i,k) = dcmplx(r1*dcos(r2),r1*dsin(r2)) enddo + u_in(k,k) = (10.d0,0.d0) enddo do k=1,N_st_diag call normalize_complex(u_in(1,k),sze)