From 4bd6cdee2378ed3f19d56c3fd11e3dc1660f2cd0 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 14 Nov 2016 18:55:20 +0100 Subject: [PATCH] Updated tests --- tests/bats/cassd.bats | 4 ++-- tests/bats/mrcepa0.bats | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/tests/bats/cassd.bats b/tests/bats/cassd.bats index 44b44ee6..bbc2e1eb 100644 --- a/tests/bats/cassd.bats +++ b/tests/bats/cassd.bats @@ -8,10 +8,10 @@ source $QP_ROOT/tests/bats/common.bats.sh qp_edit -c $INPUT ezfio set_file $INPUT ezfio set perturbation do_pt2_end False - ezfio set determinants n_det_max 2000 + ezfio set determinants n_det_max 1000 qp_set_mo_class $INPUT -core "[1]" -inact "[2,5]" -act "[3,4,6,7]" -virt "[8-24]" qp_run cassd_zmq $INPUT energy="$(ezfio get cas_sd_zmq energy)" - eq $energy -76.2221842108163 1.E-5 + eq $energy -76.2220702263996 1.E-5 } diff --git a/tests/bats/mrcepa0.bats b/tests/bats/mrcepa0.bats index 8b56c606..77c1b756 100644 --- a/tests/bats/mrcepa0.bats +++ b/tests/bats/mrcepa0.bats @@ -65,6 +65,6 @@ source $QP_ROOT/tests/bats/common.bats.sh ezfio set mrcepa0 n_it_max_dressed_ci 3 qp_run $EXE $INPUT energy="$(ezfio get mrcepa0 energy)" - eq $energy -76.23199784430074 1.e-4 + eq $energy -76.2318658231035 1.e-4 }