Matt Thompson
Matt Thompson
We'll want to make sure these get piped to logging #38 #53
I think (1) is a separate issue?
My initial thoughts > parse units? Yes, I would think so > group them by expressions Not strictly necessary but this would be preferred; most core types of the same...
I think the most reasonable approach would be to _not_ have a clearly-defined element for non-physical things and instead just keep that information directly in the `Site`. Which is to...
Somebody remind me - HOOMD is `[0, L]` and/or `[-L/2, L/2]` but nothing in between?
For the above case, that should be fine as long as we have a different class for the connection that ties drude oscillators to their parent atoms (`Spring` ?)
I'm fine with this, but would like to ask a few questions since I don't know what's going on here * what CPUs don't support SIMD these days? * is...
@hannaomi
In #985 I went with an OpenMM-based solution (if/after RDKit and MDTraj fail) which should work the same in general Testing with a larger system, though, makes me think it's...
Great, I'm happy with how #987 has looked and I'm aiming for that to be in the next release (later this week or early next)