Quantum Acorn

Features · Compilation · Examples · Docs

Quantum Acorn, a collection of electronic structure methods compiled into a dependency-free binary. If you are here for the educational scripts, you can find them in the education folder.

Features

Below are all the important features of Acorn divided into categories.

Quantum Mechanical Methods

• Numerically Exact Adiabatic & Nonadiabatic Quantum Dynamics with Arbitrary Number of States & Dimensions
• Restricted Hartree–Fock Method, Møller–Plesset Perturbation Theory & Configuration Interaction Methods

Compilation

Since the software is coded in zig, you need to have the zig compiler installed on your system. You can download the latest version of the zig compiler from the official website. After you have installed the zig compiler, navigate to the project root and run the following command to compile the project.

zig build --release=fast --summary all

This will compile the project and create a binary file named acorn in the zig-out/arch-os folder, where arch is the architecture of your system and os is the operating system you are using. You can also perform tests on the project by running the following command.

zig build --release=fast --summary all test

If some tests fail, let me know by creating an issue. If all the tests pass, you can run the binary file using the following command.

./zig-out/arch-os/acorn

You should see the version of the compiler and execution time of the program. If you see this, the program is working correctly.