Ludwig Schneider
Ludwig Schneider
Just an idea, while browsing these issues. Maybe instead of logging the file path to log a hash of the forcefield files used. This enables at least to verify that...
Also, in the future, I was thinking about including some code for measures on graphs. And this was the first step, since a metric is required to be invariant under...
@jg8610 is there interest in this PR?
Just to brain storm ideas for CVs. We could do particle density of a grid. Used in soft matter systems. But I am not sure if/how JAX can calculate gradients...
we can probably close this with #134
Hmm, too bad. that is a function it can’t pickle. we probably have to rework this a bit. Wither return data instead of a function. or make it a pickable...
Please run `./trunk fmt` on this branch to make the error go away.
Is this is active?