[ase-users] bug report: ver. ase-3.19.1, ase/io/lammpsdata.py

[Ask Hjorth Larsen]

Dear Shotaro,

Am Mo., 18. Mai 2020 um 13:22 Uhr schrieb Shotaro Doi via ase-users
<ase-users at listserv.fysik.dtu.dk>:
>
> I found a bug in the stable version ase-3.19.1
>
> at line 205 in "ase/io/lammpsdata.py",
>      if style == "charge" and (len(fields) == 6 or len(fields) == 9):
> should be modified as
>      elif style == "charge" and (len(fields) == 6 or len(fields) == 9):
>
> After installing the ase package via the pip command,
> I faced an stop error when "read_lammps_data" was called, which was
> finally solved by modifying the above line from 'if' to 'elif'.

I think has been fixed in master.

We'll do a new release soon-ish.

Best regards
Ask

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