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Feature #313922

Observables in anisotropic situations

Added by Felix Höfling almost 3 years ago.

Status:
New
Priority:
Normal
Assignee:
-
Target version:
-
Start date:
Due date:
% Done:

0%


Description

Many observables are averaged over all space directions, assuming isotropy of the system studied. Since the average can not be removed for anisotropic situations, the average should either be dropped or made configurable.

The affected modules are mostly dynamic correlation functions, as listed below. (Note that general structure factors are easily implemented in the simulation script from the density modes.)


Checklist

  • mean-square/quartic displacement
  • velocity autocorrelation function
  • stress-tensor autocorrelation
  • helfand moment of stress tensor
  • intermediate scattering function
  • static structure factor

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