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Fixing tests
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@ -70,7 +70,7 @@ function run() {
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@test "CH4" {
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qp_set_mo_class ch4.ezfio -core "[1]" -act "[2-30]" -del "[31-59]"
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run ch4.ezfio -40.2403916383084 -39.8433214756675
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run ch4.ezfio -40.2403962667047 -39.8433221754964
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}
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@test "CO2" {
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