PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-03 12:43:48 +01:00
Code Releases Activity

Fixed SCF tests

Browse Source
This commit is contained in:
Anthony Scemama 2023-02-03 11:35:59 +01:00
parent 9de4740da3
commit 6be30d297b
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/hartree_fock/10.hf.bats
View File

@ -114,7 +114,7 @@ function run() {
@test "SiH3" { # 20.316100 54.0861s @test "SiH3" { # 20.316100 54.0861s
[[ -n $TRAVIS ]] && skip [[ -n $TRAVIS ]] && skip
run sih3.ezfio -5.455400439077580 run sih3.ezfio -5.455417770259740
} }
@test "OH" { # 32.042200 1.36478m @test "OH" { # 32.042200 1.36478m
@ -131,6 +131,6 @@ function run() {
@test "SO2" { # 71.894900 3.22567m @test "SO2" { # 71.894900 3.22567m
[[ -n $TRAVIS ]] && skip [[ -n $TRAVIS ]] && skip
run so2.ezfio -41.55800401346361 run so2.ezfio -41.55806023244631
} }