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Fixed travis
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75b50cf4d6
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@ -34,13 +34,13 @@ function run() {
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@test "HCO" { # 12.2868s
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qp set_file hco.ezfio
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run -113.296806579881 1.e-05
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run -113.296794171915 2.e-05
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}
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@test "H2O2" { # 12.9214s
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qp set_file h2o2.ezfio
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qp set_mo_class --core="[1-2]" --act="[3-24]" --del="[25-38]"
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run -151.004935161155 1.e-5
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run -151.004888189874 2.e-5
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}
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@test "HBO" { # 13.3144s
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@ -52,13 +52,13 @@ function run() {
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@test "H2O" { # 11.3727s
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[[ -n $TRAVIS ]] && skip
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qp set_file h2o.ezfio
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run -76.2359268957699 1.e-5
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run -76.2359268957699 2.e-5
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}
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@test "ClO" { # 13.3755s
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[[ -n $TRAVIS ]] && skip
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qp set_file clo.ezfio
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run -534.546053053143 1.e-5
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run -534.546005867797 5.e-5
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}
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@test "SO" { # 13.4952s
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