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FLAMES v0.4.8
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Getting started

  • Installing FLAMES
  • Overview

Tutorials: Basic

  • Widom insertion
  • GCMC Simulation
  • Restarting Simulations
  • GCMC Adsorption Isotherm

Tutorials: Advanced

  • Mixed calculators for GCMC/MD simulations

Theoretical Background

  • Widom test particle insertion method
  • Grand-Canonical Monte Carlo (GCMC) Simulation
  • Transition Matrix Monte Carlo (TMMC) Simulation

Simulator Description

  • BaseSimulator Class
  • GCMC Class
  • Widom Class
  • TMMC Class

Development

  • Changelog
  • Contributing
  • License
  • GitHub Repository
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