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Fixed tests

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This commit is contained in:
Anthony Scemama 2019-05-27 19:03:58 +02:00
parent 926378c1bc
commit 7bc6c7e709
1 changed files with 2 additions and 2 deletions
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4
src/fci/40.fci.bats
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@ -48,12 +48,12 @@ function run_stoch() {
@test "DHNO" { # 11.4721s
qp set_file dhno.ezfio
qp set_mo_class --core="[1-7]" --act="[8-64]"
run -130.458875747063 1.e-5
run -130.459020029816 1.e-5
}
@test "HCO" { # 12.2868s
qp set_file hco.ezfio
run -113.296794173622 2.e-05
run -113.297494345682 2.e-05
}
@test "H2O2" { # 12.9214s