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Add doc and global varialbe in unit_test

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This commit is contained in:
Thomas Applencourt 2015-03-30 10:37:11 +02:00
parent aa7bfdc46d
commit 125e7d4c8f
1 changed files with 10 additions and 2 deletions
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12
tests/unit_test/unit_test.py
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@ -25,6 +25,12 @@ precision = 1.e-8
# More ezfio condition you set, beter it is # More ezfio condition you set, beter it is
# You cannot order the test flow.
# So if you dont whant to remarque on test (for example the HF), set
# a global variable and check for it
global has_hf_alredy
has_hf_alredy = False
def init_folder(geo, basis, mult=1): def init_folder(geo, basis, mult=1):
''' '''
Take a geo in arg (aka a existing geo.xyz in test/) Take a geo in arg (aka a existing geo.xyz in test/)
@ -50,8 +56,9 @@ def run_hf(geo, basis):
""" """
Run a simle by default hf Run a simle by default hf
EZFIO path = geo.ezfio EZFIO path = geo.ezfio
""" """
global has_hf_alredy
has_hf_alredy = True
ref_energy = defaultdict(dict) ref_energy = defaultdict(dict)
@ -111,8 +118,9 @@ def run_full_ci_10k_pt2_end(geo, basis):
def run_big_test(geo, basis): def run_big_test(geo, basis):
if not has_hf_alredy:
run_hf(geo, basis)
run_hf(geo, basis)
run_full_ci_10k_pt2_end(geo, basis) run_full_ci_10k_pt2_end(geo, basis)
return True return True