Teepanis Chachiyo and Hathaithip Chachiyo (2025), Siam Quantum 2: An Open-Source C Toolbox for Quantum Modeling and Electronic Structure Development. (submitted to Journal of Chemical Theory and Computation).
You can download the executable for MacOS, Linux, and Windows from the official website: https://sites.google.com/site/siamquantum
Only one executatble file sq is needed to run Siam Quantum. SQ is a terminal based program. You have to save it somewhere and run it from a terminal. For example, running without any argument will print all available options. Try this first to check if everything is working properly.
The prefix ./ tells the terminal SQ is in the current directory.
In addition, molecular geometries in .XYZ format and a few basis set in GAMESS format are provided in the distribution in the directory examples/ and basis/ respectively. You can use these files to perform simple Hartree-Fock calculation such as,
For advance usage, see the FAQ, programming guide, source code LaTex note, and compilation guide in the docs/ directory, or use the link to GitHub below.
A walkthrough for Windows user (MacOS and Linux should be the same). The video goes over how to save the executable, open terminal, build XYZ file, locating the basis set. Visualization with VMD is also included.
How to use Siam Quantum to peform quantum molecular dynamics (QMD) simulation and visualization with VMD software
การใช้งานโปรแกรมเบื้องต้น โดย ธีรพล คำหล้า
การใช้โปรแกรมคำนวณกลุ่มหมอกอิเล็กตรอน โดย ธีรพล คำหล้า
การแสดงภาพกราฟิกด้วย VMD เพื่อดูโครงสร้างของโมเลกุล และ กลุ่มหมอกอิเล็กตรอน