mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-24 13:23:41 +01:00
Fixed travis
This commit is contained in:
parent
a052dba7f2
commit
0c0e5aa366
@ -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
|
||||
|
Loading…
Reference in New Issue
Block a user