[ase-users] traj file with new ase
Georg Madsen
georg.madsen at phys.au.dk
Wed Sep 30 09:33:42 CEST 2009
Hi all
I have a trajectory file which can be read without problems with an
old version of ase (downloaded on 060109)
When I try the new version of ase (downloaded today) I get an error
message: AttributeError: class FixAtoms has no attribute '__new__'
I guess it could be worked around by writing an xyz file with the old
ase and reading this. I have quite a lot of trajectories from this
period, so it would be good if someone can help me avoid some fix
Best wishes
Georg
The full error:
-----------------------------------------------------------------------
atoms = PickleTrajectory('Pt111_2x5l3_k2_'+id3+'_h16_rc1.traj', mode='r')[-1]
Traceback (most recent call last): File "<stdin>", line 1, in ?
File "/home/georg/Campos/gp150909/ase/ase/io/trajectory.py", line
61, in __init__
self.open(filename, mode)
File "/home/georg/Campos/gp150909/ase/ase/io/trajectory.py", line
72, in open
self.read_header()
File "/home/georg/Campos/gp150909/ase/ase/io/trajectory.py", line
104, in read_header
d = pickle.load(self.fd)
File "/usr/lib64/python2.3/pickle.py", line 1390, in load
return Unpickler(file).load()
File "/usr/lib64/python2.3/pickle.py", line 872, in load
dispatch[key](self)
File "/usr/lib64/python2.3/pickle.py", line 1097, in load_newobj
obj = cls.__new__(cls, *args)
AttributeError: class FixAtoms has no attribute '__new__'
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