Overview
Introductory lecture material
Programming
Basic numerical methods
Methods and Algorithms
Molecular Dynamics
HartreeFock method
Density functional theory
Monte Carlo methods
Quantum Monte Carlo methods
Lanczos method
Perturbation theory


We will mostly follow lectures at https://github.com/jrjohansson/scientificpythonlectures
My lectures can be downloaded at
https://github.com/haulek/CompPhysics/tree/main/Programing
Local copy of lectures:
00_Introduction.html
01_Basic_Python.html
02_Numpy.html
03_Scipy.html
04_Scipy_example_Hydrogen_atom.html
05_Atom_in_LDA.html
Homeworks:
Homework 3,
solution in Jupyter Notebook form
Numerov algorithm
Homework 4,
solution in Jupyter Notebook form
Script for XC potential: excor.py
Total energies from NIST (Energies are given in Hartree's)
Solution of the H2+ molecule in Python: Lecture notes, code
Old codes:
Programming in C++ and Perl
Homework 4
Homework 5
Homework 6
Source code for this part of lectures
.emacs file
Example of using f2py to generate Mandelbrot set
Perl scipt for datafile manipulation, plotting, integration,...
Some Python scripts
All source codes
