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Orbital

The `Orbital' representation draws a molecular orbital isosurface corresponding to a user-defined wavefunction amplitude computed on a regularly spaced grid, resulting from the selected wavefunction type, spin, excitation, and orbital index [29,30]. The size parameter controls the thickness of points and line isosurface representations, and the grid spacing parameter controls the density of the regular grid upon which the wavefunction amplitude is computed.



vmd@ks.uiuc.edu