mattwthompson / scattering

Functions for analyzing molecular simulations according to scattering experiments
MIT License
9 stars 9 forks source link

Can we remove `compute_dynamic_rdf` #56

Open rmatsum836 opened 3 years ago

rmatsum836 commented 3 years ago

Pointed out by @jacoblumpkins, compute_dynamic_rdf is a slow python implementation of what compute_rdf_t and compute_distances_t does in MDTraj.

My guess is that compute_dynamic_rdf was an early attempt at implementing the van hove function. If this is correct, I think we can go ahead and remove this function from the package.