From c8109a1f516b9e7e7f71ecbfe61c9f6386755e8a Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 29 Aug 2022 15:32:36 +0200 Subject: [PATCH] Fixing tests --- external/qp2-dependencies | 2 +- src/cisd/30.cisd.bats | 2 +- src/fci/40.fci.bats | 4 ++-- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/external/qp2-dependencies b/external/qp2-dependencies index 90ee61f5..242151e0 160000 --- a/external/qp2-dependencies +++ b/external/qp2-dependencies @@ -1 +1 @@ -Subproject commit 90ee61f5041c7c94a0c605625a264860292813a0 +Subproject commit 242151e03d1d6bf042387226431d82d35845686a diff --git a/src/cisd/30.cisd.bats b/src/cisd/30.cisd.bats index 58d996f8..69b862b0 100644 --- a/src/cisd/30.cisd.bats +++ b/src/cisd/30.cisd.bats @@ -4,7 +4,7 @@ source $QP_ROOT/tests/bats/common.bats.sh source $QP_ROOT/quantum_package.rc function run() { - thresh=1.e-5 + thresh=2.e-5 test_exe cisd || skip qp edit --check qp set determinants n_states 2 diff --git a/src/fci/40.fci.bats b/src/fci/40.fci.bats index d890d586..4523d0e0 100644 --- a/src/fci/40.fci.bats +++ b/src/fci/40.fci.bats @@ -71,7 +71,7 @@ function run_stoch() { @test "HBO" { # 13.3144s [[ -n $TRAVIS ]] && skip qp set_file hbo.ezfio - run -100.213 1.e-3 100000 + run -100.213 1.5e-3 100000 } @test "H2O" { # 11.3727s @@ -167,7 +167,7 @@ function run_stoch() { [[ -n $TRAVIS ]] && skip qp set_file co2.ezfio qp set_mo_class --core="[1,2]" --act="[3-30]" --del="[31-42]" - run -187.970184372047 1.5e-3 100000 + run -187.970184372047 1.6e-3 100000 }