PolColMC documentation

This program was made for Monte-Carlo simulations of polydisperse spheres, interacting with a hard-core Yukawa potential. It computes energy, pressure, radial distribution functions, effective structure factor, among other quantities. The statistical ensembles can be: NVT, NPT or Gibbs.

Contents

• Building
  • Requirements
  • CMake
  • FoBiS
• Usage
  • Command line
  • Input parameters
  • Distribution
  • Output files
  • Example
• Input Parameters
  • Some symbol definitions
  • Potentials
  • Structural parameters
  • Simulation parameters
  • Output
  • Translations
  • Histograms
  • Swaps
  • NPT
  • Other moves (Gibbs…)
  • Others
• Analysis
  • Radial distribution function
  • Effective structure factor
  • Swaps
  • Bond-order parameters
  • Energy ergo analysis
  • Configurational temperature
  • Average Z-density
  • 3D S(q)
  • Density fluctuations
• Ensembles
  • NVT
  • NPT
  • Gibbs
  • Semi-grand canonical ensemble
  • Ostwald ripening
• Developing
  • Code structure
  • Energy calculations