Tools

Overview

JARVIS-Tools is a python-based software package with ≈ 20,000 lines of code and consisting of several python-classes and functions. JARVIS-Tools can be used for a) the automation of simulations and data-generation, b) post-processing and analysis of generated data, and c) the dissemination of data and methods. It uses cloud-based continuous integration checking including GitHubAction, CircleCI, TravisCI, CodeCov, and PEP8 linter to maintain consistency in the code and its functionalities. The JARVIS-Tools is distributed through an open GitHub repository: GitHub page .

Installation

Follow the instructions:

Installation instructions

Features

  • High-throughput density functional theory, classical force-field/moelcular dynamics, machine-learning calculations.
  • Post-processing and plotting tools for calulation results.
  • Uploading and downloading data to JARVIS-API and Figshare through REST framework.
  • Development of webpages for materials data.

Modules

JARVIS-Tools module list and respective documentation is available at:

ReadTheDocs