From f9e473d703adf35bb17000a3e4e5cdc1688b9915 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Mon, 25 Jun 2018 02:34:06 -0500 Subject: [PATCH] square determinant coefficients (#242) --- src/Determinants/spindeterminants.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/Determinants/spindeterminants.irp.f b/src/Determinants/spindeterminants.irp.f index 136872b4..796e4fac 100644 --- a/src/Determinants/spindeterminants.irp.f +++ b/src/Determinants/spindeterminants.irp.f @@ -649,7 +649,7 @@ subroutine create_wf_of_psi_bilinear_matrix(truncate) do k=1,N_states psi_coef_sorted_bit(idx,k) = psi_bilinear_matrix(i,j,k) !$OMP ATOMIC - norm(k) += psi_bilinear_matrix(i,j,k) + norm(k) += psi_bilinear_matrix(i,j,k)*psi_bilinear_matrix(i,j,k) enddo endif enddo