scnc
/
phonopy
mirror of https://github.com/phonopy/phonopy.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

Update dynamic structure factor test to increasing margine

This commit is contained in:
Atsushi Togo 2018-07-21 22:42:14 +09:00
parent 87a60255aa
commit 03e6f1b738
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
test/phonopy/spectrum/test_dynamic_structure_factor.py
View File

@ -76,7 +76,7 @@ class TestDynamicStructureFactor(unittest.TestCase):
data_cmp = np.reshape([float(x) for x in data_str.split()], (-1, 6))
for i in (([0, 1], [2], [3, 4], [5])):
np.testing.assert_allclose(
S[:, i].sum(axis=1), data_cmp[:, i].sum(axis=1), atol=1e-2)
S[:, i].sum(axis=1), data_cmp[:, i].sum(axis=1), atol=1e-1)
def plot_f_Q(f_params):
import matplotlib.pyplot as plt