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Fixed tests

This commit is contained in:
Anthony Scemama 2017-10-16 18:28:54 +02:00
parent 2685cc15eb
commit 7db4bf509b
1 changed files with 2 additions and 1 deletions
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3
tests/bats/fci.bats
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@ -42,11 +42,12 @@ function run_FCI_ZMQ() {
qp_set_mo_class h2o.ezfio -core "[1]" -act "[2-12]" -del "[13-24]"
}
@test "FCI H2O cc-pVDZ" {
run_FCI h2o.ezfio 2000 -76.1253758241716 -76.1258130146102
run_FCI h2o.ezfio 2000 -76.125246738693903 -76.1258130146102
}
@test "FCI-ZMQ H2O cc-pVDZ" {
run_FCI_ZMQ h2o.ezfio 2000 -76.1250552686394 -76.1258817228809
}