[gpaw-users] calc.write error, bug?

[Dr M C Nelson]

The following code excerpt

    calc = GPAW()

    atoms.set_calculator( calc )

    ....

    calc.write(  filespec.gpw, 'all' )


produces the following error:

    Traceback (most recent call last):
       File "./ReadCIF.py", line 693, in <module>
         calc.write( args.savegpaw, 'all' )
       File "/usr/lib64/python3.7/site-packages/gpaw/calculator.py",
    line 162, in write
         self._write(writer, mode)
       File "/usr/lib64/python3.7/site-packages/gpaw/calculator.py",
    line 171, in _write
         write_atoms(writer.child('atoms'), self.atoms)
       File "/usr/lib/python3.7/site-packages/ase/io/trajectory.py",
    line 326, in write_atoms
         b.write(pbc=atoms.pbc.tolist(),
    AttributeError: 'NoneType' object has no attribute 'pbc'



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