Contents ADF-GUI Reference Manual
Table of Contents
Introduction
.. The ADF-GUI modules
.. The SCM (logo) menu
.. Automatic bug reports
.. Environment Variables
Mouse Interaction
.. Rotate, Translate and Zoom
.. Selecting
Shared Menus
.. Pop-up menus
.. View Menu
ADF-GUI modules
.. ADFjobs
.. ADFinput
.. ADFview
.. ADFdos
.. ADFspectra
.. ADFmovie
.. ADFlevels
.. ADFtail
.. ADFoutput
.. GUIprefs
ADF-GUI modules
ADFjobs
Introduction
Starting ADFjobs
Use as Launcher
File and Job listing
Queues
Menu commands
ADFinput
Introduction
Starting ADFinput
Panels
Mopac, DFTB, MM, OpenBabel
Calculation Tabs
Menu Commands
Buttons and Tools
Getting and changing geometry details
Keyboard shortcuts
Pre-optimizer: SimpleMM, MOPAC or DFTB
Presets and Defaults
Calculation Tasks
Structures
Molecule Editor Tricks
Atom Inspector: Atom masses, types, alternative elements, ...
Run Script
Input options remarks
Multi Level Calculations
ADFview
Introduction
Starting ADFview
Menu commands
Comparing data from several molecules
Temporary Files
ADFdos
Introduction
Starting ADFdos
Using ADFdos
ADFspectra
Introduction
Starting ADFspectra
Zooming in or out
Peak width and shape
Scaling peak positions
Axes menu
Save Postscript
Export XY values
DOS (density of states)
Vibration (IR spectrum)
PVDOS spectrum
Optical spectrum
CD spectrum
MCD spectrum
Raman
VCD
ADFmovie
Introduction
Starting ADFmovie
Buttons
Input Files
Geometry Information
Menu Commands
ADFlevels
Introduction
Starting ADFlevels
ADFlevels window
Stacks: Molecule, Fragment types, Fragments
Mouse interaction
Menu commands
Pop-up menus
ADFtail
Introduction
Starting ADFtail
ADFtail window
ADFoutput
Introduction
Starting ADFoutput
ADFoutput window
GUIprefs
Preferences
Save and Apply
Display
Colors
Atom Colors
Fields
Pre-Optimizer
ADFjobs
Environment
Copyright
Terms of Use
Privacy Policy
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