From c30bdd34b83b6774da3fa12e2def6a7fa811e5ac Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sun, 16 Apr 2017 12:08:12 +0200 Subject: [PATCH] fixed Davidson --- src/Davidson/u0Hu0.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/Davidson/u0Hu0.irp.f b/src/Davidson/u0Hu0.irp.f index 24c4d476..1a3bcf9f 100644 --- a/src/Davidson/u0Hu0.irp.f +++ b/src/Davidson/u0Hu0.irp.f @@ -761,7 +761,7 @@ subroutine H_S2_u_0_nstates_bilinear_order(v_0,s_0,u_0,N_st,sze_8) ! ----------------------- do while ( l_a < psi_bilinear_matrix_columns_loc(lcol+1) ) - do l=l_a,psi_bilinear_matrix_columns_loc(lcol+1) + do l=l_a,psi_bilinear_matrix_columns_loc(lcol+1)-1 lrow = psi_bilinear_matrix_rows(l) if (is_single_a(lrow)) exit enddo