eff [.cfg file]which produces two files: a restart file with the extension .cfg.restart, containing the current or last step of the calculation; and an output file with the extension .eff. More detailed information on using eFF is provided in the examples in Chapter 2.
effview [.cfg or .eff file] [number of frames] /off (optional)eFFview can display either an input .cfg file or an output .eff file. Input files are always displayed as a single frame, while output files are displayed as movies if they contain multiple steps from a minimization or a dynamics run.
The number of frames option is used to limit the number of frames displayed when an .eff file is being viewed.
Finally, the /off switch can be used to disable a fast graphics algorithm used by eFFview to accelerate the drawing of transparent graphics, which can cause problems with older graphics cards.
Table 1.2 summarizes the mouse motions and keystrokes used to control eFFview, and Figure 1.1 shows a screenshot of the program. For more detailed information on using eFFview, see Chapter 4.
$ diamond_cfg 3 3 3 > diamond.cfgTo run these scripts under Windows, download the free version of Active Perl at http://www.activestate.com/. Then the scripts can be run by typing for example
c:\> perl diamond_cfg 3 3 3 > diamond.cfg