Keywords for the Makefile

1. TARGET
    
   The TARGET keyword indicates which kind of computer the code is to be compiled for. This must be specifed - there is no default value. Valid targets can be listed by the makefile if the command make is typed, without arguments. The list frequently changes as more targets are added and redundant ones removed. Users are encouraged to extend the Makefile for themselves, using existing targets as examples.
2. STRESS
    
   The STRESS keyword activates the code that calculates the stress tensor in the DL_POLY_2 code. The arguments are:
   • NOSTRESS - if the stress tensor is not required;
   • STRESS - if the stress tensor is required (default).
   Calculation of the stress tensor is essential if ``constant stress'' (Rahman-Parrinello) MD is required.
3. TYPE
    
   The TYPE keyword creates variants of the DL_POLY_2 code which determine which scheme is to be used for the interpolation of the short-range potential and force arrays. The arguments are:
   • 3pt - compile with 3-point interpolation (default);
   • 4pt - compile with 4-point interpolation;
   • rsq - compile with $r^{2}$ interpolation.
   A discussion of the merits of the different interpolation methods is given below (section 3.2.1.3).
4. EX
    
   The EX keyword specifies the executable name. The default name for the executable is ``DLPOLY.X''.
5. BINROOT
    
   The BINROOT keyword specifies the directory in which the executable is to be stored. The default setting is ``../execute''.