SpinMCPack - Spin Monte Carlo Simulation Package

SpinMCPack is a Python package designed for performing Monte Carlo (MC) simulations of spin systems. It supports Ising, XY, and 3D Heisenberg models.

Features

• Supports Ising, XY, and 3D Heisenberg models.
• Configurable parameters include temperature, interaction strengths, spin orientations, number of cells, magnetic interaction parameters, sample size, sampling interval, and angular resolution of spin orientations.
• Provides plots for energy and magnetization convergence.

Prerequisites

• Python 3
• Required libraries: numpy, ase, pandas, matplotlib, tqdm, scipy

Installation

Clone the repository:

Usage

Edit template.py:

• Modify parameters such as number of cells, magnetic interaction parameters, sample size, sampling interval, angular resolution of spin orientations, etc., as needed.
• Usage: python template.py <temperature> <sampling_sweep>

This command runs the simulation using a submission script (submission-script) which can be adjusted according to user-specific computational resources.

Output Files

• Energies: saved in the energies directory.
• Spin configurations: saved in the spin_configs directory.
• Convergence plots: saved as Energy_<temperature>.png and Magnetization_<temperature>.png.

Key Components

• Spin_MonteCarlo_Simulator: Main class for running MC simulations.
• monte_carlo_simulation(): Executes the MC simulation.
• calculate_site_energies(): Calculates energies from neighboring spins.

File Descriptions

• template.py: Script to initiate and run simulations.
• SpinMC.py: Core implementation of the Spin_MonteCarlo_Simulator class.

The model provided in this repository was utilized to generate the results discussed in the manuscript: arXiv:2409.19082.