LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-09-27 03:51:01 +02:00
Code Issues Releases Wiki Activity

Fixed travis

Browse Source
This commit is contained in:
Anthony Scemama 2018-10-30 14:00:38 +01:00
parent a052dba7f2
commit 0c0e5aa366
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
tests/bats/hf.bats
View File

@ -10,11 +10,11 @@ function run_init() {
function run_HF() {
thresh=1.e-9
thresh=1.e-8
test_exe SCF || skip
qp_edit -c $1
ezfio set_file $1
ezfio set hartree_fock thresh_scf 2.e-8
ezfio set hartree_fock thresh_scf 1.e-10
qp_run SCF $1
energy="$(ezfio get hartree_fock energy)"
eq $energy $2 $thresh