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Anthony Scemama 2023-06-11 12:19:39 +02:00
parent 24f91e9bec
commit 2f6c7e4ba0
1 changed files with 1 additions and 1 deletions
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src/fci/40.fci.bats
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@ -209,7 +209,7 @@ function run_stoch() {
[[ -n $TRAVIS ]] && skip
qp set_file cu_nh3_4_2plus.ezfio
qp set_mo_class --core="[1-24]" --act="[25-45]" --del="[46-87]"
run -1862.9869374387192 3.e-04 100000
run -1862.98320066637 3.e-04 100000
}
@test "HCN" { # 20.3273s