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Enumeration library for generating derivative structures.

copied from cf-staging / enumlib

Installers

  • linux-64 v2.0.6
  • osx-64 v2.0.6

conda install

To install this package run one of the following:
conda install conda-forge::enumlib

Description

This code generates the derivative superstructures of a parent lattice. It works for general lattices, including "multilattices," like HCP, which have more than one lattice point in the unit cell. The code can enumerate over all concentrations or in a restricted concentration range.


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