Useful Software Links

This is a general to collect a large variety of useful websites, tutorials, and libraries. If you have any more to add, feel free to make a pull request.

Bash:

• Bash Tutorial
• Vim Settings - Recommended ~/.vimrc settings to use.

Python

• Software Carpentry Tutorial
• Codecademy Tutorial
• Scientific computing in Python. First three notebooks:
  • 1- Scientific computing in Python
  • 2- Introduction to Python
  • 3- Numpy
• Array broadcasting example - Slide 16

Git

Cheat sheets:

• Git cheat sheet

Visual tools:

• Smart Git
• Git Kraken

Caching your GitHub password:

• GitHub Help

C++

Tutorials and references:

• IsoCpp
• LearnCpp
• Cplusplus.com
• CPP Reference - (complete language and STL reference)

Debuggers:

• LLDB Cheat Sheet

Intrinsics and assembly:

• Intel Intrinsics
• Reference Manual

BLAS/LAPACK

References:

• Quick Guide
• Full Guide

Implementations:

• Intel MKL - Now free!
• OpenBLAS
• BLIS
• libFLAME

Wrapper libraries:

• Armadillo
• Eigen
• Boost::uBLAS
• Lapack++
• LAWrap

QM Theory Links

• C++ Programming Tutorial in Chemistry