dlp2xyzf converts a DL_POLY history file into a sequential XYZ file, with atomic positions and forces contained in the file.

Related programs:

  • To extract individual DL_POLY configurations from a history file, see dlp2config.
  • To convert between formatted and unformatted history files, see dlp2dlp.
  • To extract individual XYZ frames from a history file, see dlp2xyzs.

Basic Usage

dlp2xyzf <HISTORYfile> <nframes | 'all'>

Where:

  • <HISTORYfile> is the name of the DL_POLY HISTORY file to be converted
  • <nframes | 'all'> is either the integer number of frames to convert, or the word 'all' to convert all frames in the trajectory.

Switches

None.