From 8bfac5669a1b858383d2189f70510a30275977dd Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Fri, 6 Mar 2020 08:46:10 -0600 Subject: [PATCH] fixed complex kind --- src/davidson/diagonalization_hs2_dressed.irp.f | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/davidson/diagonalization_hs2_dressed.irp.f b/src/davidson/diagonalization_hs2_dressed.irp.f index c469c907..d16445cc 100644 --- a/src/davidson/diagonalization_hs2_dressed.irp.f +++ b/src/davidson/diagonalization_hs2_dressed.irp.f @@ -1092,7 +1092,7 @@ subroutine davidson_diag_hjj_sjj_complex(dets_in,u_in,H_jj,s2_out,energies,dim_i else call h_s2_u_0_nstates_openmp_complex(W(1,shift+1),S_d,U(1,shift+1),N_st_diag,sze) endif - S(1:sze,shift+1:shift+N_st_diag) = cmplx(S_d(1:sze,1:N_st_diag),kind(1.e0)) + S(1:sze,shift+1:shift+N_st_diag) = cmplx(S_d(1:sze,1:N_st_diag)) else ! Already computed in update below continue @@ -1162,7 +1162,7 @@ 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),kind(1.d0)) + s_(i,j) = s_(i,j) + dconjg(U(k,i)) * cmplx(S(k,j)) enddo enddo enddo @@ -1306,7 +1306,7 @@ subroutine davidson_diag_hjj_sjj_complex(dets_in,u_in,H_jj,s2_out,energies,dim_i call zgemm('N','N', sze, N_st_diag, shift2, & (1.d0,0.d0), W, size(W,1), y, size(y,1), (0.d0,0.d0), W(1,shift2+1), size(W,1)) - y_s(:,:) = cmplx(y(:,:),kind(1.e0)) + y_s(:,:) = cmplx(y(:,:)) call cgemm('N','N', sze, N_st_diag, shift2, & (1.e0,0.e0), S, size(S,1), y_s, size(y_s,1), (0.e0,0.e0), S(1,shift2+1), size(S,1)) @@ -1413,7 +1413,7 @@ subroutine davidson_diag_hjj_sjj_complex(dets_in,u_in,H_jj,s2_out,energies,dim_i enddo do j=1,N_st_diag do i=1,sze - S_d(i,j) = cmplx(S(i,j),kind(1.d0)) + S_d(i,j) = cmplx(S(i,j)) enddo enddo