next up previous contents index
Next: Header Up: The OUTPUT Files Previous: The Unformatted HISTORY File   Contents   Index


The OUTPUT File

The job output consists of 7 sections: Header; Simulation control specifications; Force field specification; Summary of the initial configuration; Simulation progress; Summary of statistical data; Sample of the final configuration; and Radial distribution functions. These sections are written by different subroutines at various stages of a job. Creation of the OUTPUT file always results from running DL_POLY_2 . It is meant to be a human readable file, destined for hardcopy output.



Subsections

W Smith 2003-05-12