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Changed order of tests
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@ -40,13 +40,6 @@ function run_stoch() {
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run_stoch -49.14104086 0.0001 10000
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run_stoch -49.14104086 0.0001 10000
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}
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}
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@test "F2" { # 0:03:34
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[[ -n $TRAVIS ]] && skip
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qp set_file f2.ezfio
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qp set_frozen_core
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run_stoch -199.30821487 0.002 100000
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}
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@test "NH3" { # 0:00:11
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@test "NH3" { # 0:00:11
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qp set_file nh3.ezfio
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qp set_file nh3.ezfio
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qp set_mo_class --core="[1-4]" --act="[5-72]"
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qp set_mo_class --core="[1-4]" --act="[5-72]"
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@ -186,3 +179,10 @@ function run_stoch() {
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run_stoch -93.09855896 5.e-4 50000
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run_stoch -93.09855896 5.e-4 50000
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}
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}
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@test "F2" { # 0:03:34
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[[ -n $TRAVIS ]] && skip
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qp set_file f2.ezfio
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qp set_frozen_core
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run_stoch -199.30821487 0.002 100000
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}
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