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Fixed tests
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@ -48,12 +48,12 @@ function run_stoch() {
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@test "DHNO" { # 11.4721s
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@test "DHNO" { # 11.4721s
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qp set_file dhno.ezfio
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qp set_file dhno.ezfio
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qp set_mo_class --core="[1-7]" --act="[8-64]"
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qp set_mo_class --core="[1-7]" --act="[8-64]"
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run -130.458875747063 1.e-5
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run -130.459020029816 1.e-5
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}
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}
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@test "HCO" { # 12.2868s
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@test "HCO" { # 12.2868s
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qp set_file hco.ezfio
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qp set_file hco.ezfio
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run -113.296794173622 2.e-05
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run -113.297494345682 2.e-05
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}
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}
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@test "H2O2" { # 12.9214s
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@test "H2O2" { # 12.9214s
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