LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 19:13:29 +01:00
Code Releases Activity

Changed order of tests

Browse Source
This commit is contained in:
Anthony Scemama 2022-05-12 12:32:28 +02:00
parent c64e92de45
commit bcb334afd2
1 changed files with 7 additions and 7 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

14
src/fci/40.fci.bats
View File

@ -40,13 +40,6 @@ function run_stoch() {
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
qp set_file nh3.ezfio
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
}
@test "F2" { # 0:03:34
[[ -n $TRAVIS ]] && skip
qp set_file f2.ezfio
qp set_frozen_core
run_stoch -199.30821487 0.002 100000
}