Skip to content

Commit 761fdd1

Browse files
committed
Fixes comments
1 parent 2bc4426 commit 761fdd1

File tree

1 file changed

+3
-7
lines changed

1 file changed

+3
-7
lines changed

cscs-checks/apps/espresso/espresso_check.py

Lines changed: 3 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -15,15 +15,11 @@ def __init__(self, variant, **kwargs):
1515
'Espresso')
1616
self.executable = 'pw.x'
1717
self.executable_opts = '-in ausurf.in'.split()
18-
property_patterns = {
19-
'energy': sn.extractsingle(r'! total energy ='
20-
r'\s+(?P<energy>\S+) Ry',
21-
self.stdout, 'energy', float)
22-
}
18+
energy = sn.extractsingle(r'!\s+total energy\s+=\s+(?P<energy>\S+) Ry',
19+
self.stdout, 'energy', float)
2320
self.sanity_patterns = sn.all([
2421
sn.assert_found(r'convergence has been achieved', self.stdout),
25-
sn.assert_reference(property_patterns['energy'], -11427.08612278,
26-
lower_thres=-1e-10, upper_thres=1e-10)])
22+
sn.assert_reference(energy, -11427.08612278, -1e-10, 1e-10)])
2723
self.perf_patterns = {
2824
'sec': sn.extractsingle(r'electrons :\s+(?P<sec>\S+)s CPU ',
2925
self.stdout, 'sec', float)

0 commit comments

Comments
 (0)