Python package for simulation and analysis of ion crystals in surface traps.
Project description
SION package
Python package for simulation and analysis of ion crystals in surface electrode traps.
The package combines voltage optimization algorithms with ion-dynamics simulation in LAMMPS through the electrode and pyLIon packages. LAMMPS-based molecular dynamics simulations provide a reliable baseline for modeling ion-crystal behavior.
Installation
This package was developed and tested on Windows only.
The newest version may be installed via pip:
pip install surface-ion
The following software must be installed to use SION:
-
Molecular Dynamics simulations use LAMMPS.
-
Parallel runs use Microsoft MPI (MS-MPI). Install the M
Getting started
SION works with surface traps, defined through the electrode package. The simulation of ion dynamics is carried through the pylion environment. All functions, presented in SION are described in example notebooks. Main file sion.py contains docs for each function.
To publish the results, obtained with SION, we kindly ask you to cite the following article:
Free software: GNU GENERAL PUBLIC LICENSE
Features
- Simulation of ion motion in arbitrary polygon and point electrode surface trap.
- Optimization and simulation of arbitrary ion shuttling in polygon traps.
- Calculation of normal modes for general case of 1D, 2D, 3D mixed species ion crystals with arbitrary set of ions' secular frequencies.
- Calculation of anharmonic Mathieu modes of ion crystals in surface traps.
- Stability analysis of asymmetric planar traps.
- Optimization of DC voltage set of a planar trap to match the desired secular frequency and radial mode rotation angle in given positions.
- Convenient trap design. Layout may be imported from GDS file or created by defining the arbitrary electrode shape boundary.
Possible issues
- The following error may occur from trying to execute simulation two times without restarting the kernel. It is specific to IPython IDEs (Jupyter, spyder). The error will be resolved by restarting the kernel.
SimulationError: There are identical 'uids'. Although this is allowed in some cases, 'lammps' is probably not going to like it.
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