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qp2
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Fixed travis

This commit is contained in:
Anthony Scemama 2019-02-04 23:23:08 +01:00
parent 75b50cf4d6
commit 37fe028626
1 changed files with 4 additions and 4 deletions
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8
src/fci/40.fci.bats
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@ -34,13 +34,13 @@ function run() {
@test "HCO" { # 12.2868s
qp set_file hco.ezfio
run -113.296806579881 1.e-05
run -113.296794171915 2.e-05
}
@test "H2O2" { # 12.9214s
qp set_file h2o2.ezfio
qp set_mo_class --core="[1-2]" --act="[3-24]" --del="[25-38]"
run -151.004935161155 1.e-5
run -151.004888189874 2.e-5
}
@test "HBO" { # 13.3144s
@ -52,13 +52,13 @@ function run() {
@test "H2O" { # 11.3727s
[[ -n $TRAVIS ]] && skip
qp set_file h2o.ezfio
run -76.2359268957699 1.e-5
run -76.2359268957699 2.e-5
}
@test "ClO" { # 13.3755s
[[ -n $TRAVIS ]] && skip
qp set_file clo.ezfio
run -534.546053053143 1.e-5
run -534.546005867797 5.e-5
}
@test "SO" { # 13.4952s