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A set of routines to interface with lammps and setup simulations of magnetic colloidal particles

Project description

magcollois

This is a set of routines to start and read simulations in lammps of colloidal particles interacting through dipolar and Lennard-Jones potentials. It includes functionality to set up walls to confine the colloids and biharmonic traps. It's mostly a wrapper for lammps, although that might change in the future. It is made to work on windows, and it therefore interfaces with lammps through input scripts and dump files, instead of using the python interface.

Prerequisites

Most things are tested using numpy 1.13.1, scipy 1.0.0 and pandas 0.22.0. A lammps executable is needed, which includes the dipole package, and a superparamagnetic atom type. The source code for this can be found in https://github.com/aortiza/lammps which is a branch of the original lammps http://lammps.sandia.gov/. Executables for Windows, Intel Mac and Ubuntu can be found in the folder lammps_executables/

Authors

  • Antonio Ortiz-Ambriz

License

This project is licensed under the GPL License. In fact, most of the code is licenced under MIT licence, but LAMMPS is GPL.

Project details


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magcolloid-0.3.8-py3-none-any.whl (29.4 MB) Copy SHA256 hash SHA256 Wheel py3
magcolloid-0.3.8.tar.gz (29.2 MB) Copy SHA256 hash SHA256 Source None

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