Metadata-Version: 2.4
Name: lammps_ast
Version: 0.1.2
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
Requires-Dist: lark-parser>=0.12.0
Requires-Dist: colorama
Requires-Dist: graphviz
Requires-Dist: zss
Requires-Dist: pydot
Requires-Dist: simpleeval
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: requires-dist
Dynamic: requires-python
Dynamic: summary

# 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
conda create -n Last_env python=3.11

pip install lammps_ast
conda install graphviz


