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

[s d]

Thanks.

Looking forward to the next major update!

Shotaro

2020年5月22日(金) 22:24 Ask Hjorth Larsen <asklarsen at gmail.com>:

> 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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> > ase-users at listserv.fysik.dtu.dk
> > https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>
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