Bradley Dice

@xiyudu Sorry, I thought you'd used it for one of your projects! Happy to have your thoughts and I appreciate your willingness to offer feedback! I know the other two...

@erteich Yes, the essential goal is to make the "cluster" algorithm work more easily. It's pretty heavily dependent on finding the exact right set of parameters right now, and I...

> I'm not entirely sure what `neighbors` in the arguments mean. Based on the documentation, it seems like this should always be greater than or equal to `env_neighbors`, but I...

As the [gyration tensor Wikipedia article](https://en.wikipedia.org/wiki/Gyration_tensor ) notes, the proposed mass-dependent quantity should be called the _moment of inertia tensor_ and not the gyration tensor. > Although they have different...

@AlainKadar Only `ClusterProperties` would be affected. The classes are actually somewhat independent, if you already know the particle indices comprising each cluster. For example, in a polymer system where sets...

Official support for nonperiodic boxes via the `Box.periodic` flags for x/y/z is possible, but it would take a lot of testing to make sure we get it right. I have...

Great to hear that is working for you. One other note for ease of use: the Box object can be multiplied by a scalar. The lengths will be multiplied by...

Thanks for checking into that! I discussed with @klywang and @alacour. Our goals for the end of the hackathon are to add documentation and tests for the behavior of each...

> > > @bdice I don't mind the API break, I think that it's probably reasonable for us at this stage. However, I think that since the 1.0 release the...

@b-butler @tommy-waltmann If you accept the API breakage, I’d like to see this feature go in when we are ready for 3.0 development. This is needed for correctness in some...