From 6e897584e9d5a40bd26850c30ed771aa26dd2cb7 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 10 Oct 2016 17:08:53 +0200 Subject: [PATCH] Bug in integrals --- src/Integrals_Bielec/mo_bi_integrals.irp.f | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/Integrals_Bielec/mo_bi_integrals.irp.f b/src/Integrals_Bielec/mo_bi_integrals.irp.f index 28c1e88b..0a468c24 100644 --- a/src/Integrals_Bielec/mo_bi_integrals.irp.f +++ b/src/Integrals_Bielec/mo_bi_integrals.irp.f @@ -240,9 +240,9 @@ subroutine add_integrals_to_map(mask_ijkl) exit endif bielec_tmp_1(i) = c*bielec_tmp_3(i,j0,k0) -! enddo -! -! do i = 1, min(k,j1-i1) + enddo + + do i = 1, min(k,j1-i1) if (abs(bielec_tmp_1(i)) < mo_integrals_threshold) then cycle endif