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

Shotaro Doi doiexcerpt at gmail.com
Mon May 18 13:21:20 CEST 2020


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'.


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