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more tolerances

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svn-origin-rev: 13166
This commit is contained in:
Joost VandeVondele 2013-09-25 11:58:02 +00:00
parent aa8cef2c53
commit 812342b803
5 changed files with 6 additions and 6 deletions
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4
tests/SCPTB/regtest-1/TEST_FILES
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@ -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

2
tests/SE/regtest-2/TEST_FILES
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@ -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

2
tests/SE/regtest-3-2/TEST_FILES
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@ -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

2
tests/SE/regtest-3-4/TEST_FILES
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@ -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

2
tests/SE/regtest/TEST_FILES
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@ -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