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Subsections

Basic usage

eFF

To run eFF, type
  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

To run the eFFview visualizer, type
  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.

Builder scripts

To run the builder scripts included in the eFF distribution, it is necessary to have Perl installed. Mac OS X and Linux should have this built in by default, so that running a script is as simple as
  $ diamond_cfg 3 3 3 > diamond.cfg
To 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


Table 1.2: eFFview mouse and keyboard controls.
Mouse, main area Left drag Rotates
  Right drag Translates
  Scroll wheel Zooms
  or +/-  
Mouse, upper bar Left click Play/pause animation
  Right click Jump to frame
Keyboard q/ESC Quits program
  h/? Help panel
  1-4 Change electron size
  F1-F5 Level of detail
  or shift1-5  
  n Nuclei only
  e Electrons only
  s Spin pair electrons
  v Velocity arrows
  b Bonds on/off
  S Snapshot
  M Movie record


Figure 1.1: Screenshot of the eFFview visualizer, playing back a dynamics simulation of a diamondoid nanoparticle being etched by a dense hydrogen plasma.


next up previous contents index
Next: Units Up: Introduction Previous: What is included   Contents   Index
Julius 2008-04-29