Construction and Execution

• Constructing : an Overview
  • Constructing the Standard Versions
  • Constructing Non-standard Versions
• Compiling and Running
  • Note on the Interpolation Scheme
  • Running
  • Parallel I/O
  • Restarting
  • Optimising the Starting Structure
  • Simulation Efficiency and Performance
• A Guide to Preparing Input Files
  • Inorganic Materials
  • Macromolecules
  • Adding Solvent to a Structure
  • Analysing Results
• Choosing Ewald Sum Variables
  • Ewald sum and SPME
• Warning and Error Processing
  • The DL_POLY_4 Internal Warning Facility
  • The DL_POLY_4 Internal Error Facility