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Test files
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@ -59,7 +59,7 @@ function run_stoch() {
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@test "HCO" { # 12.2868s
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qp set_file hco.ezfio
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run -113.389298880564 3.e-4 100000
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run -113.390292448857 3.e-4 100000
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}
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@test "H2O2" { # 12.9214s
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@ -175,7 +175,7 @@ function run_stoch() {
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[[ -n $TRAVIS ]] && skip
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qp set_file cu_nh3_4_2plus.ezfio
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qp set_mo_class --core="[1-24]" --act="[25-45]" --del="[46-87]"
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run -1862.98614665139 3.e-04 100000
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run -1862.97568806589 3.e-04 100000
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}
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@test "HCN" { # 20.3273s
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