From 812342b803f6137e78ce35cfcc28bb350e6b2dd2 Mon Sep 17 00:00:00 2001 From: Joost VandeVondele Date: Wed, 25 Sep 2013 11:58:02 +0000 Subject: [PATCH] more tolerances svn-origin-rev: 13166 --- tests/SCPTB/regtest-1/TEST_FILES | 4 ++-- tests/SE/regtest-2/TEST_FILES | 2 +- tests/SE/regtest-3-2/TEST_FILES | 2 +- tests/SE/regtest-3-4/TEST_FILES | 2 +- tests/SE/regtest/TEST_FILES | 2 +- 5 files changed, 6 insertions(+), 6 deletions(-) diff --git a/tests/SCPTB/regtest-1/TEST_FILES b/tests/SCPTB/regtest-1/TEST_FILES index 1e1fa9c84d..05ded43944 100644 --- a/tests/SCPTB/regtest-1/TEST_FILES +++ b/tests/SCPTB/regtest-1/TEST_FILES @@ -6,7 +6,7 @@ #H2.inp 1 h2.inp 1 he.inp 1 -hf_1.inp 1 -hf_2.inp 1 1e-07 +hf_1.inp 1 2e-13 +hf_2.inp 1 1e-06 hf_3.inp 1 hf_4.inp 1 diff --git a/tests/SE/regtest-2/TEST_FILES b/tests/SE/regtest-2/TEST_FILES index 033ccb0163..2ff69b91a4 100644 --- a/tests/SE/regtest-2/TEST_FILES +++ b/tests/SE/regtest-2/TEST_FILES @@ -37,7 +37,7 @@ Pt-cis-2xpet3Cl2.inp 3 hcl.inp 3 hcl_ot.inp 3 1E-12 hcl_z.inp 3 -ZrF2-PM6.inp 3 1E-13 +ZrF2-PM6.inp 3 4e-13 Hg_cat.inp 3 Hg_dicat.inp 29 Hg_dicat2.inp 29 diff --git a/tests/SE/regtest-3-2/TEST_FILES b/tests/SE/regtest-3-2/TEST_FILES index 06b0799f60..f27e5940ca 100644 --- a/tests/SE/regtest-3-2/TEST_FILES +++ b/tests/SE/regtest-3-2/TEST_FILES @@ -6,6 +6,6 @@ Periclase.inp 11 1e-13 # dumped KDSO H2O-MNDO-KDSOd.inp 3 LM-KSDO.inp 3 -LM-KSDO-D.inp 3 +LM-KSDO-D.inp 3 3e-14 # Multipole with NONE MAX_EXPANSION SiO2.inp 3 5e-13 diff --git a/tests/SE/regtest-3-4/TEST_FILES b/tests/SE/regtest-3-4/TEST_FILES index bfd5b3210b..a1671f5378 100644 --- a/tests/SE/regtest-3-4/TEST_FILES +++ b/tests/SE/regtest-3-4/TEST_FILES @@ -6,6 +6,6 @@ gly_noangvel.inp 2 #extended cif test Co_complex.inp 11 1E-12 #cv distance from path -N3_rp_md.inp 11 +N3_rp_md.inp 11 5e-14 N3_dp_md.inp 11 3e-14 N3_rp_dp_md.inp 11 7e-14 diff --git a/tests/SE/regtest/TEST_FILES b/tests/SE/regtest/TEST_FILES index 89742453af..ef295bdd8f 100644 --- a/tests/SE/regtest/TEST_FILES +++ b/tests/SE/regtest/TEST_FILES @@ -44,7 +44,7 @@ H2O-MNDO-si-nc.inp 3 dimer.inp 3 7e-14 dimer2.inp 3 dimer3.inp 3 3e-13 -dimer4.inp 3 4e-14 +dimer4.inp 3 1e-12 # GKS INTEGRALS h2o_gks.inp 3 h2o_gks_p.inp 3