[ase-users] traj file with new ase

[Jens Jørgen Mortensen]

On Wed, 2009-09-30 at 09:33 +0200, Georg Madsen wrote:
> 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

Here is a solution:

https://listserv.fysik.dtu.dk/pipermail/ase-users/2009-February/000198.html

Could you send me one of your bad trajectories?

Jens Jørgen

>   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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