Simulation Methods: Assignments

Assignments for the simulation methods course.

Description

Assignment 1

See Assignment_1_MD.pdf.

Assignment 2

See [Assignment_2_MD.pdf](assignment2_md_pinning/Assignment_2 MD.pdf).

Assignment 3

See Assignment_3_MC.pdf.

Assignment 4

See Assignment_4_CA_Perk_DLA.pdf.

Requirements

• C++11 (compiled using C++17)
• OpenGL (for visualization only. Coded for compatibility with Linux / freeglut)

Usage

Molecular dynamics

Using Makefile:

• make build_opt_none - compiles non-optimized code with g++.
• make build_opt_none_debug - compiles non-optimized code with g++, with debug information.
• make ARGS="true 800" run_opt_none - runs non-optimized code with specific arguments. Arguments should be given in the following order:
  • VERBOSE_BOOL: determines if the simulation will output additional information to stdout;
  • N_PARTICLES: determines number of particles in the simulation;
• make run_opt_verlet_default - runs non-optimized code, with default arguments;
• make build_opt_verlet - compiles non-optimized code with g++.
• make build_opt_verlet_debug - compiles non-optimized code with g++, with debug information.
• make ARGS="true 800" run_opt_verlet - runs non-optimized code with specific arguments. Arguments should be given in the following order:
  • VERBOSE_BOOL: determines if the simulation will output additional information to stdout;
  • N_PARTICLES: determines number of particles in the simulation;
• make run_opt_verlet_tabulated_default - runs non-optimized code, with default arguments;
• make build_opt_verlet_tabulated - compiles non-optimized code with g++.
• make build_opt_verlet_tabulated_debug - compiles non-optimized code with g++, with debug information.
• make ARGS="true 800" run_opt_verlet_tabulated - runs non-optimized code with specific arguments. Arguments should be given in the following order:
  • VERBOSE_BOOL: determines if the simulation will output additional information to stdout;
  • N_PARTICLES: determines number of particles in the simulation;
• make run_opt_none_default - runs non-optimized code, with default arguments;
• make build_visualization - compiles visualization code with g++.
• make build_visualization_debug - compiles visualization code with g++, with debug information.
• make run_visualization - runs visualization code

Molecular dynamics with pinning sites

Using Makefile:

• make build - compiles code with gcc.
• make build_debug - compiles code with gcc, with debug information.
• make run - runs simulation
• make build_visualization - compiles visualization code with g++.
• make build_visualization_debug - compiles visualization code with g++, with debug information.
• make run_visualization - runs visualization code

Monte Carlos methods

• Compile using gcc for each method;
• Compile visualization using Makefile.