Skip to content

teepanis/siam-quantum

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

13 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

Siam Quantum

This GitHub repository is for source code, documentation, and reporting issues. To download executables, please visit the official website: https://sites.google.com/site/siamquantum

Siam Quantum (SQ) is a compact open-source quantum simulation program, designed for research and education in mind. For research, its speed and accuracy are comparable to the well-established quantum chemistry programs. You could use it to do research and publish your results with confident that your results can be reproduced. For education, it is extensively documented in an easy-to-read math display using Jupyter Notebook which can also be viewed directly on GitHub.

1. Executables

You could download the executables for MacOS, Linux, and Windows from the official website.

2. Compiling SQ

LAPACK library is required to build SQ from source code. It should be easy to build LAPACK using a fortran compiler. Optionally, LIBXC library can be called, granting access to other exchange-correlation functionals such as B3LYP, and PBE.

2.1 Compiling LAPACK

2.1.1 Using Linx/MacOS

2.1.2 Using Windows

2.2 Compiling LIBXC