First version for an intersection feature for DownsetBasisSelectors

ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems

66 stars 15 forks source link

First version for an intersection feature for DownsetBasisSelectors #117

Open MatthiasSachs opened 2 years ago

MatthiasSachs commented 2 years ago

This pull request is still a bit messy (I just happen to urgently need this feature). I am putting this here as a PR so that we can discuss further steps/cleanup. Basic tests pass.

cortner commented 2 years ago

there is a lot of bond stuff in this PR, am I right? might be difficult to clean up. Might make sense to extract the most relevant ideas and start over?