Package nMOLDYN :: Package Analysis :: Module Dynamics
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Module Dynamics

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Collections of classes for the determination of dynamics-related properties.

Classes:

    * MeanSquareDisplacement                   : sets up a Mean-Square-Displacement analysis.
    * RootMeanSquareDeviation                  : sets up a Root Mean-Square-Deviation analysis.
    * GyrationRadius                           : sets up a Gyration Radius analysis.
    * AngularCorrelation                       : sets up an Angular Correlation analysis.
    * CartesianVelocityAutoCorrelationFunction : sets up a Cartesian Velocity AutoCorrelation analysis. 
    * DensityOfStates                          : sets up a Density Of States analysis.
    * AutoRegressiveAnalysis                   : sets up an Auto-Regressive analysis.
    * QuasiHarmonicAnalysis                    : sets up a Quasi-Harmonic analysis.
    * PassBandTrajectoryFilter                 : sets up a Pass-Band Trajectory Filter.
    * GlobalMotionTrajectoryFilter             : sets up a Global Motion Trajectory Filter.
    * CenterOfMassTrajectory                   : sets up a Center Of Mass Trajectory.
    * RigidBodyTrajectory                      : sets up a Rigid-Body Trajectory.
    * AngularVelocityAutoCorrelationFunction   : sets up an Angular Velocity AutoCorrelation Function.
    * AngularDensityOfStates                   : sets up an Angular Density Of States.

Classes [hide private]
  MeanSquareDisplacement
Sets up a Mean Square Displacement analysis.
  RootMeanSquareDeviation
Sets up a Root Mean Square Deviation analysis.
  CartesianVelocityAutoCorrelationFunction
Sets up a Cartesian Velocity AutoCorrelation analysis.
  CartesianDensityOfStates
Sets up a Cartesian Density Of States analysis.
  AutoRegressiveAnalysis
Sets up an AutoRegressive Analysis analysis.
  PassBandFilteredTrajectory
Sets up a Pass-Band Trajectory Filter analysis.
  RadiusOfGyration
Sets up a Radius Of Gyration analysis.
  GlobalMotionFilteredTrajectory
Sets up a Global Motion Trajectory Filter analysis.
  CenterOfMassTrajectory
Sets up a Center Of Mass Trajectory analysis.
  QuasiHarmonicAnalysis
Sets up a Quasi Harmonic Analysis analysis.
  AngularCorrelation
Sets up an Angular Correlation analysis.
  RigidBodyTrajectory
Sets up a Rigid Body Trajectory analysis.
  ReorientationalCorrelationFunction
Sets up a Reorientational Correlation Function analysis.
  AngularVelocity
An intermediate class used by |AngularVelocityAutoCorrelationFunction| and |AngularDensityOfStates| classes.
  AngularVelocityAutoCorrelationFunction
Sets up an Angular Velocity AutoCorrelation Function analysis.
  AngularDensityOfStates
Sets up an Angular Density Of States analysis.