Invalid literal related with atom symbol

[alexispaz]

Running with:

python clusttraj.py output.xyz 0.5 -e -cc xyz -p

I get the following error

  ...
  File "/usr/lib/python3.10/multiprocessing/pool.py", line 375, in starmap
    return self._map_async(func, iterable, starmapstar, chunksize).get()
  File "/usr/lib/python3.10/multiprocessing/pool.py", line 774, in get
    raise self._value
ValueError: invalid literal for int() with base 10: 'Sn'

output.xyz have Sn atoms...

[hmcezar]

The problem does not seem to be with the fact it's an Sn atom, but with something else. Could you provide more details or, even better, your output.xyz?

[alexispaz]

Sure. I actually cropped the trajectory to a minimum of 2 frames, and still get the error. I can paste it here:

11

 Sn       18.466881        1.744415       -1.052984
 Sn       19.255112       -2.084599       -0.118589
 Sn       23.170916        2.192084        0.441454
 Sn       20.360153       -1.410793        2.275221
 Sn       22.150932       -1.651695       -2.732311
 Sn       22.878597       -0.249520        2.246573
 Si       20.579840        2.905550        0.485799
 Si       20.493309        0.638221        0.050026
 Si       21.150881        2.312723       -1.650138
 Si       23.089417        0.204668       -1.274464
 Si       20.514685        0.109347       -2.088160
11

 Sn       18.252872        1.951786       -1.192248
 Sn       18.587017       -1.770223       -0.427785
 Sn       23.136635        2.465702        0.425529
 Sn       20.661432       -1.720543        2.063437
 Sn       22.527288       -1.924701       -2.216776
 Sn       23.138144       -0.194802        1.753556
 Si       20.172422        2.841976        0.672572
 Si       20.189831        0.619951        0.748034
 Si       21.082079        1.851795       -1.255157
 Si       22.552580       -0.086671       -0.485591
 Si       20.531490       -0.186288       -1.394425