DL_POLY

Molecular Dynamics Simulation Software for Materials Science

Overview

DL_POLY is a general-purpose molecular dynamics simulation package developed by Daresbury Laboratory. It is designed for simulating materials science and chemistry problems, with particular emphasis on condensed phase systems.

Features

  • Support for various force fields
  • Multiple simulation ensembles (NVE, NVT, NPT)
  • Advanced sampling techniques
  • Parallel computing capabilities
  • Comprehensive analysis tools
  • Support for polarizable force fields

System Requirements

Basic Requirements

  • Linux/Unix operating system
  • Fortran compiler (GCC 7.0+)
  • 4GB RAM minimum
  • 1GB disk space

Recommended

  • 16GB+ RAM
  • 10GB+ disk space
  • Multi-core processor
  • MPI library for parallel computing

Documentation

User Manual

Comprehensive guide covering installation, configuration, and usage of DL_POLY.

View Manual →

Tutorials

Step-by-step tutorials for common simulation tasks and workflows.

View Tutorials →

API Documentation

Detailed documentation of DL_POLY programming interfaces and libraries.

View API Docs →

Quick Information

Version
5.0
License
Academic
Category
Molecular Dynamics
Last Updated
March 2024

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