Metadata-Version: 2.1
Name: lammps-ast
Version: 0.0.8
Summary: A LAMMPS script parser and sanitizer using Lark
Home-page: https://github.com/ethanholbrook/LAMMPS-AST
Author: Juan C. Verduzco, Ethan W. Holbrook
Author-email: holbrooe@purdue.edu
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Intended Audience :: Science/Research
Requires-Python: >=3.10
Description-Content-Type: text/markdown

# LAMMPS-AST

**LAMMPS-AST** is a toolset for parsing, analyzing, and processing LAMMPS scripts using an Abstract Syntax Tree (AST) representation. It utilizes [Lark](https://github.com/lark-parser/lark) for parsing LAMMPS input files and provides scripts that leverage Large Language Models (LLMs) for interpreting, modifying, and generating LAMMPS scripts.

## Features

- **LAMMPS AST Parsing**: Uses Lark to generate ASTs from LAMMPS scripts.
- **Example Scripts**: Includes sample usage for different LLM models and prompts.

## Installation

### Clone the Repository

```bash
git clone https://github.com/ethanholbrook/LAMMPS-AST.git
cd LAMMPS-AST
