pyPRISM
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Domain and System Resizing Utilities
There are two, somewhat separate ways that users might want to 'resize' their system:
-
The user want's to change the
dr
orlength
of theirpyPRISM.Domain
or to interpolate their correlations functions to a newdr
orlength
. -
The user wants to 'coarsen' their system down to a smaller number of site-types. For example, a 4-component system consisting of two copolymers might be coarsened down to a two-component system by combining correlation functions.
Both of these features would be useful utilities and should be somewhat straightforward to implement.