From 660db8abfd2de74a287fcdd3fb5e4988135fd101 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Fri, 10 Jul 2020 14:08:30 -0500 Subject: [PATCH] real davidson guess for complex --- src/davidson/diagonalization_hs2_dressed.irp.f | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) 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)