Metadata-Version: 2.1
Name: PQEnalyzer
Version: 0.7.0
Summary: A package that help analyze PQ energy and parameter output.
Author-email: "Josef M. Gallmetzer" <gallmetzer.josef@gmail.com>, Leo Christanell <leochristanell@gmail.com>, Jakob Gamper <97gamjak@gmail.com>
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: PQAnalysis>=1.0
Requires-Dist: beartype
Requires-Dist: customtkinter
Requires-Dist: matplotlib
Requires-Dist: argcomplete
Requires-Dist: numpy
Requires-Dist: tk
Requires-Dist: Pillow
Requires-Dist: scipy
Requires-Dist: plotext
Requires-Dist: InquirerPy
Provides-Extra: test
Requires-Dist: pytest; extra == "test"
Requires-Dist: coverage; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: pytest-benchmark; extra == "test"

<img src="https://raw.githubusercontent.com/MolarVerse/PQEnalyzer/main/PQEnalyzer/icons/icon.png" width="200">

[![CI](https://github.com/MolarVerse/PQEnalyzer/actions/workflows/ci.yml/badge.svg)](https://github.com/MolarVerse/PQEnalyzer/actions/workflows/ci.yml)
[![codecov](https://codecov.io/gh/MolarVerse/PQEnalyzer/graph/badge.svg?token=GMLrCKFfPA)](https://codecov.io/gh/MolarVerse/PQEnalyzer)
[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT)

# PQEnalyzer
Energy and Parameter Analyzer for Molecular Dynamic Trajectories - PQ

## Installation
    
Install with pip:

    pip install PQEnalyzer

## Usage

Open the GUI by calling the PQEnalyzer via the CLI and supplying a .en file from the PQ trajectory:

    pqenalyzer pq_output.en
