From 95294eaf14b3d203485afed95e9ba1e28f8f517e Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Thu, 7 May 2020 17:29:16 -0500 Subject: [PATCH] minor fixes in davidson --- src/davidson/diagonalization_hs2_dressed.irp.f | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/davidson/diagonalization_hs2_dressed.irp.f b/src/davidson/diagonalization_hs2_dressed.irp.f index 9615f72c..2a7c93d6 100644 --- a/src/davidson/diagonalization_hs2_dressed.irp.f +++ b/src/davidson/diagonalization_hs2_dressed.irp.f @@ -1176,7 +1176,7 @@ subroutine davidson_diag_hjj_sjj_complex(dets_in,u_in,H_jj,s2_out,energies,dim_i do i=1,shift2 s_(i,j) = (0.d0,0.d0) do k=1,sze - s_(i,j) = s_(i,j) + dconjg(U(k,i)) * cmplx(S(k,j)) + s_(i,j) = s_(i,j) + dconjg(U(k,i)) * dcmplx(S(k,j)) enddo enddo enddo @@ -1188,7 +1188,7 @@ subroutine davidson_diag_hjj_sjj_complex(dets_in,u_in,H_jj,s2_out,energies,dim_i !todo: why not size(h,1)? call zgemm('C','N', shift2, shift2, sze, & (1.d0,0.d0), U, size(U,1), W, size(W,1), & - (0.d0,0.d0), h, size(h_p,1)) + (0.d0,0.d0), h, size(h,1)) ! Penalty method ! --------------