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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-07 22:13:38 +01:00

Changed order of tests

This commit is contained in:
Anthony Scemama 2022-05-12 12:32:28 +02:00
parent c64e92de45
commit bcb334afd2

View File

@ -40,13 +40,6 @@ function run_stoch() {
run_stoch -49.14104086 0.0001 10000 run_stoch -49.14104086 0.0001 10000
} }
@test "F2" { # 0:03:34
[[ -n $TRAVIS ]] && skip
qp set_file f2.ezfio
qp set_frozen_core
run_stoch -199.30821487 0.002 100000
}
@test "NH3" { # 0:00:11 @test "NH3" { # 0:00:11
qp set_file nh3.ezfio qp set_file nh3.ezfio
qp set_mo_class --core="[1-4]" --act="[5-72]" qp set_mo_class --core="[1-4]" --act="[5-72]"
@ -186,3 +179,10 @@ function run_stoch() {
run_stoch -93.09855896 5.e-4 50000 run_stoch -93.09855896 5.e-4 50000
} }
@test "F2" { # 0:03:34
[[ -n $TRAVIS ]] && skip
qp set_file f2.ezfio
qp set_frozen_core
run_stoch -199.30821487 0.002 100000
}