A helper script for Psi4 keywords
Project description
Psi4-help Script
Overview
Psi4-help is a Python script designed to help users explore and understand the keywords and options available in the Psi4 quantum chemistry software. The script reads a YAML file containing Psi4 keyword information and provides a user-friendly interface to view and search through the data.
Features
- List all top-level keys in the Psi4 keyword YAML file.
- Show detailed information for a specific top-level key, including optional parameters and descriptions.
- Print all top-level keys and their detailed information.
- Print all top-level keys and their secondary keys without descriptions.
Requirements
- Python 3.6 or higher
- PyYAML
- colorama
Installation
-
Clone the repository:
git clone https://github.com/FLongWang/psi4-help.git cd psi4-help
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