From 8802d988490bff8ffa656b1484d6526a343c65b1 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 27 Oct 2016 13:49:29 +0200 Subject: [PATCH] wrong dimensions in s2_out --- src/Davidson/diagonalization_hs2.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/Davidson/diagonalization_hs2.irp.f b/src/Davidson/diagonalization_hs2.irp.f index a7bc2b95..d7ec11b6 100644 --- a/src/Davidson/diagonalization_hs2.irp.f +++ b/src/Davidson/diagonalization_hs2.irp.f @@ -22,7 +22,7 @@ subroutine davidson_diag_hs2(dets_in,u_in,s2_out,dim_in,energies,sze,N_st,N_st_d integer, intent(in) :: dim_in, sze, N_st, N_st_diag, Nint, iunit integer(bit_kind), intent(in) :: dets_in(Nint,2,sze) double precision, intent(inout) :: u_in(dim_in,N_st_diag) - double precision, intent(out) :: energies(N_st), s2_out(N_st) + double precision, intent(out) :: energies(N_st), s2_out(N_st_diag) double precision, allocatable :: H_jj(:), S2_jj(:) double precision :: diag_h_mat_elem