The ADF-GUI is the Graphical User Interface for the ADF package. It consists of several modules:
ADFjobs
This utility ($ADFBIN/adfjobs) manages your ADF jobs: run a job on your local machine or on remote machines. It also serves as a interface to all files belonging to your job, and it serves as a convenient launcher of the other ADF-GUI modules.
ADFinput
ADFinput ($ADFBIN/adfinput) helps ADF users to easily create ADF jobs. You can use ADFinput to define your molecule (geometry), pre-optimize it, and to set details of your ADF job using an easy-to-use graphical user interface. ADFinput will generate the basic job script for you. This script takes care of running ADF and property programs as required.
ADFview
ADFview ($ADFBIN/adfview) displays volume data, such as electron densities, orbitals, electrostatic potentials and more. You can also use it to visualize scalar atomic data like charges.
ADFmovie
ADFmovie ($ADFBIN/adfmovie) follows geometry steps as performed by ADF during geometry optimizations, IRC calculations, etc. It can be used during the calculation to monitor the progress (based on information from the logfile), or it can be used to analyze the geometry changes after a calculation. It is also used to display normal modes calculated with a frequency calculation.
ADFlevels
ADFlevels ($ADFBIN/adflevels) generates a diagram showing the energy levels of a finished calculation. You can interact with it: show an interaction diagram (how the molecular orbitals are constructed from fragment orbitals), show labels, occupations, orbitals, etc.
ADFspectra
ADFspectra ($ADFBIN/adfspectra) shows spectra calculated by ADF. It can show IR, Raman, excitation and CD spectra, as well as a DOS plot. For some spectra it can also perform additional tasks (using other ADF-GUI modules), like displaying normal modes or orbitals.
ADFtail
ADFtail ($ADFBIN/adftail) shows the contents of a text file, updating when the text file grows (like the UNIX tail -f command). It is used to monitor the 'logfile'. The progress of an ADF calculation is always written to this file.
ADFoutput
ADFoutput ($ADFBIN/adfoutput) shows the output of ADF (or any other text file). It will analyze the output and provide quick links to sections of interest.
GUIprefs
GUIprefs ($ADFBIN/guiprefs) allows you to adjust and save numerous GUI preferences, such as color schemes, environmental variables, etc. The preferences will be used by all ADF-GUI modules.
All ADF-GUI modules have the SCM menu on the left-hand side, on most systems represented by a small SCM logo. Using the SCM menu commands you can easily switch between the different modules of the ADF-GUI.
