HORTON-GRID

The Grid used in Helpful Open-source Research TOol for N-fermion systems.

Overview

HORTON-GRID is an integral grid that was initially implemented in Horton 2. This updated version now supports Python 3.10 and above.

HORTON-GRID is an essential tool used in computational chemistry. It provides functionalities for creating and manipulating molecular grids which are used in various scientific computations.

For more information, visit HORTON's website: http://theochem.github.io/horton/latest

Key Features

• Molecular grids for computational chemistry.
• Implemented in Python 3.10 for broad compatibility with scientific computing packages.
• Adheres to strict code formatting standards, using tools such as Black and Ruff.
• Built with a focus on scientific research and education.

Installation

Clone the repository:

git clone git@github.com:yingxingcheng/horton-grid.git

Navigate to the horton-grid directory:

cd horton-grid

Install the package:

pip install .

Dependencies

The horton-grid project depends on the following Python packages:

• NumPy
• pre-commit
• pytest
• nose

These dependencies will be automatically installed when you install horton-grid.