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When I tried to run tests/surface/surface_test.py, I got the following error. Is it possible to fix this?
(base) $ python surface_test.py
Traceback (most recent call last):
File "surface_test.py", line 31, in
bh.run(20)
File "/home/lam/anaconda2/lib/python2.7/site-packages/winak-0.1-py2.7-linux-x86_64.egg/winak/globaloptimization/betterhopping.py", line 173, in run
vectors=self.get_vectors(atemp[self.adsorbate[0]:self.adsorbate[1]])
File "/home/lam/anaconda2/lib/python2.7/site-packages/winak-0.1-py2.7-linux-x86_64.egg/winak/globaloptimization/betterhopping.py", line 144, in get_vectors
return coords.get_vectors()
File "/home/lam/anaconda2/lib/python2.7/site-packages/winak-0.1-py2.7-linux-x86_64.egg/winak/curvilinear/Coordinates.py", line 1086, in get_vectors
raise ValueError('NO convergence after 40 tries')
ValueError: NO convergence after 40 tries
The text was updated successfully, but these errors were encountered:
Dear Developers,
When I tried to run tests/surface/surface_test.py, I got the following error. Is it possible to fix this?
(base) $ python surface_test.py
Traceback (most recent call last):
File "surface_test.py", line 31, in
bh.run(20)
File "/home/lam/anaconda2/lib/python2.7/site-packages/winak-0.1-py2.7-linux-x86_64.egg/winak/globaloptimization/betterhopping.py", line 173, in run
vectors=self.get_vectors(atemp[self.adsorbate[0]:self.adsorbate[1]])
File "/home/lam/anaconda2/lib/python2.7/site-packages/winak-0.1-py2.7-linux-x86_64.egg/winak/globaloptimization/betterhopping.py", line 144, in get_vectors
return coords.get_vectors()
File "/home/lam/anaconda2/lib/python2.7/site-packages/winak-0.1-py2.7-linux-x86_64.egg/winak/curvilinear/Coordinates.py", line 1086, in get_vectors
raise ValueError('NO convergence after 40 tries')
ValueError: NO convergence after 40 tries
The text was updated successfully, but these errors were encountered: