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Fixed ref values for tests

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Anthony Scemama 2022-04-13 13:40:04 +02:00
parent 19185c06f4
commit 8cbabc6494
1 changed files with 2 additions and 2 deletions
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src/fci/40.fci.bats
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@ -59,13 +59,13 @@ function run_stoch() {
@test "HCO" { # 12.2868s @test "HCO" { # 12.2868s
qp set_file hco.ezfio qp set_file hco.ezfio
run -113.389297812482 6.e-4 100000 run -113.393356604085 6.e-4 100000
} }
@test "H2O2" { # 12.9214s @test "H2O2" { # 12.9214s
qp set_file h2o2.ezfio qp set_file h2o2.ezfio
qp set_mo_class --core="[1-2]" --act="[3-24]" --del="[25-38]" qp set_mo_class --core="[1-2]" --act="[3-24]" --del="[25-38]"
run -151.00467 1.e-4 100000 run -151.005848404095 1.e-4 100000
} }
@test "HBO" { # 13.3144s @test "HBO" { # 13.3144s