Name		Name	Last commit message	Last commit date
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README.md		README.md
read_metropolis.py		read_metropolis.py
run_metropolis.py		run_metropolis.py

README.md

Metropolis MC

Usage

Metropolis is performed by executing run_metropolis.py

Simulation parameters

rseed, random seed
T, temperature
n_seeds, the number of Pd atoms
iterations, the number of MC iterations

Output files describing a Metropolis MC trajectory

metropolis_outputs/metropolis_Tk_rseed.p, the pickle file for accepted configurations, accpetance ratios and energies

Post-processing

Use read_metropolis to generate trajectory plots and visualize atomic configurations