mcpy

Get started

  • Installation
  • Your first simulation

Background

  • Ensembles
  • Cells
  • Calibrating species_radii
  • Moves
  • Computing energies and relaxing trial moves
  • GCMC acceptance: the de Broglie particle count

Tutorials

  • Oxidation phase diagram of a metallic surface
  • Cluster install: IQTC portal (mcpy + Alchemi on Ubuntu GPU nodes)

Examples

  • Examples

API reference

  • Ensembles
  • Moves
  • Cells
  • Calculators
  • Utilities

Reference

  • Glossary
  • Bibliography
mcpy
  • Search

© Copyright 2025, Riccardo Farris, Emanuele Telari.

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