AiiDAlab DL_POLY Documentation

Welcome to the AiiDAlab DL_POLY application documentation. This application provides a wizard-style interface for configuring, submitting and inspecting DL_POLY molecular dynamics simulations within the AiiDA/AiiDAlab environment. It builds on the aiida-dlpoly plugin which provides the underlying AiiDA calculation and parser.

Contents:

• Getting Started
  • Installation
  • The configuration wizard
  • Additional pages
• AiiDAlab DL_POLY API
  • aiidalab_dlpoly package