[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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