LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-09 06:53:38 +01:00
Code Releases Activity

Fixed tests

Browse Source
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
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
src/fci/40.fci.bats
View File

@ -48,12 +48,12 @@ function run_stoch() {
@test "DHNO" { # 11.4721s @test "DHNO" { # 11.4721s
qp set_file dhno.ezfio qp set_file dhno.ezfio
qp set_mo_class --core="[1-7]" --act="[8-64]" 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 @test "HCO" { # 12.2868s
qp set_file hco.ezfio qp set_file hco.ezfio
run -113.296794173622 2.e-05 run -113.297494345682 2.e-05
} }
@test "H2O2" { # 12.9214s @test "H2O2" { # 12.9214s