• About This repository contains code for constructing distances between atomic configurations [fn:whyatomic]. The intended use-case is for generating covariance matrices, with an associated library. Typically this is used in conjunction with ~readCon~, but primary downstream users would use the bindings. ** Features
• Generic distances (~vector~ based)
  • Euclidean
  • Manhattan
  • Lp norm
• Generic ~SimpleMatrix~
• Distance operations on general matrix constructs ** Development *** Developing locally A ~pre-commit~ job is setup on CI to enforce consistent styles, so it is best to set it up locally as well (using [[https://pypa.github.io/pipx][pipx]] for isolation):

+begin_src sh

Run before commiting

pipx run pre-commit run --all-files

Or install the git hook to enforce this

pipx run pre-commit install

+end_src

• License MIT.

[fn:whyatomic] Some of the distances are generic, and can be suitable for any N-dimensional system