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Improved ADF-GUI modules - new features
(New) features for ADFinput, ADFview and ADFmovie:
OpenGL based, using your graphics card to improve speed and quality
Change background color
Mouse as joystick or trackball
Preferences shared
Fly to selection
Anti-aliasing (slow... use for quality pictures only)
Save picture as .png, .jpg, .tiff, .bmp or.ps
(New) features ADFinput - for ADF input preparation
Undo / redo for molecule editing
Cut, copy, paste for selected atoms
Add/remove hydrogens operate on selection only, if any
Bond lengths, angles and dihedrals easily controlled
Structures for editing, include user-defined structures using SCM_STRUCTURES environment variable
Keyboard shortcuts for Atom tools: (H, C, N, O, F, P, S, Esc to pointer, space to last structure)
Guess bonds operates on selection only, if any
Selection commands added: select connected, molecule, all
Fuse atoms
Menu command to create bond between atoms
Group / ungroup
Improved mouse interaction for selecting, rotating, etc
Translate atoms perpendicular to the screen (using right mouse button)
Symmetry while editing (early implementation ...)
(New) features ADFview - for visualizing orbitals, densities, ..
On-the-fly calculation of fields (orbitals etc) from TAPE21, no TAPE41 needed!
Show molecule (balls and/or sticks)
Isosurfaces, possibly transparent
Isosurfaces colored by some other property
Cut planes colored by the value
Combine any of these in one picture
Show color legend for colored surfaces or lines
Flexible arithmetic combination of fields
Scalar add or multiply with fields
Interpolated fields
Additional scene light
Add/delete bonds (for display only)
Contour lines in a cut plane
(New) features ADFmovie - for visualizing vibrations, moving nuclei
Follow angle/distance/dihedral or energy during movie
(New) features ADFspectra - for visualizing spectra
Detailed information depending on mouse position
Click to show involved orbitals / normal modes
Lorentzian or Gaussian peak shape
Raman spectra (only with ADF2005)
CD spectra (only with ADF2005)
Improved layout, labels etc
User can change units
Export spectrum to file
Postscript export
(New) features DENSF - for generating data fields for ADFview
Significant speed improvement
Can be called directly from ADF-GUI modules to generate data on the fly
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