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mattwthompson / scattering

Functions for analyzing molecular simulations according to scattering experiments
MIT License
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Add/self vhf only #61

Closed rmatsum836 closed 3 years ago

rmatsum836 commented 3 years ago

Allow function to only compute self part of the VHF.

rmatsum836 commented 3 years ago

I think this could be implemented in a better way, but would require edits to compute_rdf_t in MDTraj directly. For the sake of time, I may merge this as tests are currently passing. Then raise an issue to clean this up at a further time.