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Fixed tests
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@ -42,11 +42,12 @@ function run_FCI_ZMQ() {
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qp_set_mo_class h2o.ezfio -core "[1]" -act "[2-12]" -del "[13-24]"
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}
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@test "FCI H2O cc-pVDZ" {
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run_FCI h2o.ezfio 2000 -76.1253758241716 -76.1258130146102
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run_FCI h2o.ezfio 2000 -76.125246738693903 -76.1258130146102
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}
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@test "FCI-ZMQ H2O cc-pVDZ" {
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run_FCI_ZMQ h2o.ezfio 2000 -76.1250552686394 -76.1258817228809
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}
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