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examples

Allen-Tildesley/examples

338 stars109 forksFortranAdded February 4, 2026
summary

This repository contains Fortran and Python examples for molecular dynamics and Monte Carlo simulations, designed to accompany the book 'Computer Simulation of Liquids'. It serves as a practical resource for understanding and implementing these simulation techniques in computational chemistry.

description

Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Code" button, or follow the "Releases" link below.

topics

molecular-dynamicsmonte-carlomolecular-dynamics-simulationmonte-carlo-simulation

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