Unusual values of coordinate for ion in Paul trap

LAMMPS LAMMPS Beginners
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1

Currently I am trying to simulate by this package in LAMMPS the behaviour of 40Ca+ ion in a Paul trap with parameters:
Ω=4MHz−radio frequency
z0=2,75mm; r0=3,5mm; k=0,244−geometrical axial constant
U0=70V−axial electrods voltage
V0=1000V−radial electrods voltage

I am also cooling my ion to 1K in langevinbath. I am relying on this article, despite pyLIon syntaxis is slightly different than LIon syntaxis.

The problem is that my program gives me adequate x,y values(I can see even the ocsillations), but in z axis I am getting numbers like 10e140

As I know for parameters that I recently talked about are enough for stabilazing ion in the trap. I don’t think it’s my mistake because examples in the package also give such a big values.

Full 3 minute video here Animation - YouTube

Attached my code (that I am running in ~/lammps-15Sep2022/src/pylion/examples$) import pylion as plfrom pathlib import Pathimport matplotlib.pyplot as plt - Pastebin.com

File with positions (you can see z increasing with time) pylion/positions.txt at 2667db13f2975239c15786057d742aef0a217fcd · islambek243/pylion · GitHub

Help me please too understand what am I doing wrong. Thank you in advance. Ask me if you want more articles, related to the topic

2

You have to contact the author of the package. It is not part of LAMMPS and thus off-topic for this forum. Please also note that we can provide “technical support”, i.e. correct you when LAMMPS is producing errors, however, you need “scientific support”, i.e. help with producing the desired science.
So even if you would only be using LAMMPS, it would be difficult to help you.

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Can you at least say is it right to clone packages to src folder? Because pylions files usually ask me for lmp_serial path and I need to manually export it

4

Sorry, but I know nothing about this package and how it works (mechanically and scientifically).