LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-26 15:12:14 +02:00
Code Issues Releases Wiki Activity

precision for unit test set to 5.e-8

Browse Source
This commit is contained in:
Thomas Applencourt 2015-03-31 13:31:43 +02:00
parent 274f2752d0
commit 00be8bc06a
1 changed files with 4 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
tests/unit_test/unit_test.py
View File

@ -17,7 +17,7 @@ from collections import defaultdict
# O p t #
# ~#~#~ #
precision = 1.e-8
precision = 5.e-8
# A test get a geo file and a basis file.
# A global dict containt the result for this test
@ -31,6 +31,7 @@ precision = 1.e-8
global has_hf_alredy
has_hf_alredy = False
def init_folder(geo, basis, mult=1):
'''
Take a geo in arg (aka a existing geo.xyz in test/)
@ -48,7 +49,8 @@ def init_folder(geo, basis, mult=1):
def get_error_message(l_exepected, l_cur):
l_msg = ["Need {0} get {1}".format(i,j) for i,j in zip(l_exepected,l_cur)]
l_msg = ["Need {0} get {1} error is {2}".format(i, j, abs(i - j))
for i, j in zip(l_exepected, l_cur)]
return "\n".join(l_msg)