/mc-relax

Monte Carlo atomic and molecular particle simulator: Simulating the relaxation of particles, one collision at a time!

Primary LanguageFortran

mc-relax

Monte Carlo atomic and molecular particle simulator: Simulating the relaxation of particles in astrophysical environments, one collision at a time! http://arxiv.org/abs/1404.5986

version 1

Features:

  • Docker image for scala-relax
  • All cross sections need to be computed before hand and saved to files in the proper format
  • Cross sections are read before the simulation and stored in memory for use during the simulation
  • Hard sphere cross sections, universal cross sections, and quantum cross sections available from previous use

to-do

For version 1 (v1) of mc-relax the following features need to be implemented:

  • Create Dockerfile that creates an image for use with Apache Spark (latest version) and Scala

  • Create functionality to check for local files containing cross sections needed for simulation in current atmosphere

    • If files do not exist, alert the user and inform them what cross sections are needed and how to compute them with scatter-calc

  • Read cross sections into memory from files and use them in simulation

  • Determine proper format for saving simulation results

  • Evaluate use of classes in the code. Refactor as needed

    • particle class

      • a particle can be an atom, ion or molecule
      • attributes
        • name, lab frame energy, position, velocity, mass, isotope, charge
      • methods *

    • atmosphere class

      • contains information about the atmosphere being simulated: used to determine target particles, collision lengths
      • attributes
        • atmosphere_particles = List(particle)
        • atmosphere_densities = Map()
      • methods
        • get_atmosphere_densities(current_atmosphere_position)
        • get_cross_sections(current_atmosphere_position, current_projectile: particle)

    • collision class

      • a class that is created when a projectile particle and target particle are determined
      • attributes
        • projectile: particle
        • target: particle
      • methods
        • (projectile_after: particle, target_after: particle) = collide

scala-relax

Scala version of the Monte Carlo particle simulator. Uses Apache Spark for parallelization.

fortran-relax

Fortran 90 version of the Monte Carlo particle simulator. Uses openMPI for parallelization.