mattwthompson / scattering

Functions for analyzing molecular simulations according to scattering experiments
MIT License
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Refactor sq #58

Open rmatsum836 opened 3 years ago

rmatsum836 commented 3 years ago

Refactor of the structure factor calculation by adding a separate function to compute the structure factor between two pairwise interactions. This allows users to more easily calculate the partial structure factors and makes these functions more similar to those for computing Van Hove.