Developers.Variables.vibrations

Variable "vibrations" in MolDynSim

This variable specifies details of the normal mode analysis (molecular vibrations) in our mol_Vibrations.m MATLAB function. It is a structured variable that should initially containing the following fields :

field	description
movie	toggle movies of normal modes (logical)
amplitude	amplitude of vibrations (real number, in units of dimensionless normal coordinates)
scan	toggle scanning along normal coordinates (logical)
coordinate	range of normal coordinate scans, e. g., linspace(-1.0, +1.0, 21) (vector of real number, in units of dimensionless normal coordinates)