[ase-users] np.array() to list conversion bug

[Calcinelli, Fabio]

Good afternoon,

Running the script "Example 2: N diffusion over a step edge" from the "Image Dependent Pair Potential for improved interpolation of NEB initial guess" tutorial, in ASE 3.14.1, I ran into:


Traceback (most recent call last):
  File "imagestep.py", line 23, in <module>
    slab = FaceCenteredCubic(directions=[d1,d2,d3],size=(2,1,2),symbol=('Pt'),latticeconstant=3.9)
  File "/data/panosetti/shared/.venvs/stretch/local/lib/python2.7/site-packages/ase/lattice/bravais.py", line 58, in __call__
    self.find_directions(directions, miller)
  File "/data/panosetti/shared/.venvs/stretch/local/lib/python2.7/site-packages/ase/lattice/cubic.py", line 71, in find_directions
    Bravais.find_directions(self, directions, miller)
  File "/data/panosetti/shared/.venvs/stretch/local/lib/python2.7/site-packages/ase/lattice/bravais.py", line 354, in find_directions
    if directions == [None, None, None] and miller == [None, None, None]:
ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()


I solved the problem by adding the line:


directions[:] = [list(x) for x in directions]

after line 348 in bravais.py.

Best regards,
Fabio Calcinelli
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