ltalirz / asetk Goto Github PK

/redacted/.local/bin/cp2k-sumbias.py --cubes *WFN*.cube --levelsfile molly1.out --vmin -3.0 --vmax 3.0 --vstep 0.5 | tee sumbias.out
Traceback (most recent call last):
File "/redacted/.local/bin/cp2k-sumbias.py", line 7, in <module>
exec(compile(f.read(), __file__, 'exec'))
File "/redacted/software/asetk/scripts/cp2k-sumbias.py", line 6, in <module>
import asetk.format.cp2k as cp2k
File "/redacted/software/asetk/asetk/format/cp2k.py", line 260
A = np.genfromtxt(fname, skip_header=2)
^
TabError: inconsistent use of tabs and spaces in indentation

The simple issue is fixed with
autopep8 -i cp2k.py
but I wanted to bring it to your notice. Thanks for the toolkit - very helpful by the way!