Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

tests/surface/surface_test.py ERROR: No convergence after 40 tries #2

Open
l4m1a4 opened this issue Oct 1, 2019 · 0 comments
Open

Comments

@l4m1a4
Copy link

l4m1a4 commented Oct 1, 2019

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

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant