diff --git a/src/fci/40.fci.bats b/src/fci/40.fci.bats index 3139ebb8..1a0c5507 100644 --- a/src/fci/40.fci.bats +++ b/src/fci/40.fci.bats @@ -132,28 +132,28 @@ function run_stoch() { @test "ClF" { # 16.8864s [[ -n $TRAVIS ]] && skip qp set_file clf.ezfio - run -559.169748890031 1.e-3 100000 + run -559.169748890031 1.5e-3 100000 } @test "SO2" { # 17.5645s [[ -n $TRAVIS ]] && skip qp set_file so2.ezfio qp set_mo_class --core="[1-8]" --act="[9-87]" - run -41.5746738713298 3.e-4 100000 + run -41.5746738713298 1.5e-3 100000 } @test "C2H2" { # 17.6827s [[ -n $TRAVIS ]] && skip qp set_file c2h2.ezfio qp set_mo_class --act="[1-30]" --del="[31-36]" - run -12.3685464085969 1.e-3 100000 + run -12.3685464085969 2.e-3 100000 } @test "N2" { # 18.0198s [[ -n $TRAVIS ]] && skip qp set_file n2.ezfio qp set_mo_class --core="[1,2]" --act="[3-40]" --del="[41-60]" - run -109.287917088107 1.e-3 100000 + run -109.287917088107 1.5e-3 100000 } @test "N2H4" { # 18.5006s @@ -167,7 +167,7 @@ function run_stoch() { [[ -n $TRAVIS ]] && skip qp set_file co2.ezfio qp set_mo_class --core="[1,2]" --act="[3-30]" --del="[31-42]" - run -187.970184372047 1.e-3 100000 + run -187.970184372047 1.5e-3 100000 }