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ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems
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Ms/symmetric euclidean matrices #146

Closed MatthiasSachs closed 1 year ago

MatthiasSachs commented 1 year ago

This pull request includes

  1. addition of the new abstract type property AbstractEuclideanMatrix, which is a super type of the concrete type EuclideanMatrix
  2. addition of the new concrete type properties SymmetricEuclideanMatrix and AntiSymmetricEuclideanMatrix, both of which are subtypes of AbstractEuclideanMatrix
  3. relevant tests for the newly introduced properties. The tests for AntiSymmetricEuclideanMatrix fail for some weird reason (it's not the symmetry, but instead some issue with empty columns (or rows, I don't remember) in the column matrix. Thus, for now, the relevant tests for AntiSymmetricEuclideanMatrix in the test file test/test_EuclideanMatrix.jl are commented out.
MatthiasSachs commented 1 year ago

mixed up some stuff...