Package nMOLDYN :: Package Analysis :: Module Scattering
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Module Scattering

source code

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

Classes:
    * DynamicCoherentStructureFactor           : sets up a Dynamic Coherent Structure Factor analysis.
    * DynamicCoherentStructureFactorARModel    : sets up a Dynamic Coherent Structure Factor analysis using an Auto Regressive model.
    * DynamicIncoherentStructureFactor         : sets up an Dynamic Incoherent Structure Factor analysis.
    * DynamicIncoherentStructureFactorGaussian : sets up an Dynamic Incoherent Structure Factor analysis using a Gaussian approximation.
    * IncoherentStructureFactorARModel         : sets up an Dynamic Incoherent Structure Factor analysis using an Auto Regressive model.
    * ElasticIncoherentStructureFactor         : sets up an Elastic Incoherent Structure Factor analysis.
    * StaticCoherentStructureFactor            : sets up a Static Coherent Structure Factor analysis.
    
Procedures:
    * DynamicStructureFactor : returns the Dynamic Structure Factor.

Classes [hide private]
  DynamicCoherentStructureFactor
Sets up a Dynamic Coherent Structure Factor analysis.
  StaticCoherentStructureFactor
Sets up a Coherent Structure Factor analysis.
  DynamicCoherentStructureFactorAR
Sets up a Dynamic Coherent Structure Factor analysis using an Auto Regressive model.
  DynamicIncoherentStructureFactor
Sets up an Dynamic Incoherent Structure Factor analysis.
  DynamicIncoherentStructureFactorAR
Sets up an Dynamic Incoherent Structure Factor analysis using an Auto Regressive model.
  DynamicIncoherentStructureFactorGaussian
Sets up an Dynamic Incoherent Structure Factor analysis within Gaussian approximation.
  ElasticIncoherentStructureFactor
Sets up an Elastic Incoherent Structure Factor.
  SmoothedStaticCoherentStructureFactor
Sets up an Smoothed Static Coherent Structure Factor.
Functions [hide private]
 
DynamicStructureFactor(netcdf, alpha)
Computes the dynamic structure factor from an intermediate scattering function.
source code
Function Details [hide private]

DynamicStructureFactor(netcdf, alpha)

source code 

Computes the dynamic structure factor from an intermediate scattering function.

Parameters:
  • netcdf (string or instance of _NetCDFFile) - the intermediate scattering function from which the dynamic structure factor will be computed..
  • alpha (float) - the width, in percentage of the trajectory length, of the gaussian used in the smoothing procedure.