Computational Physics: Survey of hardware and software of a computer

Overview

Introductory lecture material

Programming

Basic numerical methods

Methods and Algorithms
Molecular Dynamics
Hartree-Fock method
Density functional theory
Monte Carlo methods
Quantum Monte Carlo methods
Lanczos method
Perturbation theory





Lecture notes in pdf format:

  • Part1
  • Part2
  • Part3
  • Source code for this part of lectures

  • .emacs
  • small plot script
  • Code plots Mandelbrot set using fortran, C++, Perl and Python
  • Prints some numeric limits
  • Computes Bessel functions with upward and downward recursion, shows the error.
  • Glues fortran and C++ to Python using f2py and weaver
  • Calling a Fortran routine in C++. Simple example to compute modified erfc function
  • Calling a minimization Fortran routine in C++. Using static class function to avoid use of global variables.