Design

APLPhys project overview

Structure

• APLPhys
  • ]Link-able .apl* files
    • Run
• MiPhys
  • MiServer MiSite
  • Interactively play with live-rendered simulations
  • Modify aplphys input, run simulations and receive output
  • Demos
    • LJmelt
    • BrazilNut

Wish list / TODO / TODocument

• CreateAtoms
  • Number of atoms
  • Box dimensions
  • Initial conditions
    • Load positions from file
    • Load velocities from file
    • Set as 0 or random
  • 2D
    • Random
    • Hexagonal lattice
    • Square grid
  • 3D
    • Random
    • FCC
    • BCC
• Verlet
  • Velocity-verlet integration scheme
  • Optional thermostat?
  • Operator
    • Force calculator operand
    • Previous state argument
    • Next state result
• Lennard-Jones
  • Cutoff distance
  • LJ units (kB=1, m=1 etc.)
• Thermostat
  • Berendsen
  • Anderson
  • Nosé-Hoover
  • Nosé-Poincaré
• Hooke
  • Simulate masses on springs
  • Choose stiffness, resistance parameters
• Pendula
  • Single pendulum
  • Double pendulum
• MonteCarloNeutron
  • Monte Carlo particle penetration
  • Measured constants / parameters
• Input Hamiltonians and derive integrators using AutoDiff
  • https://scicomp.stackexchange.com/questions/25199/how-to-integrate-numerically-nos%C3%A9-hoover-equation