Refactor common HPMC pair potential features into a base class - Githubissues

glotzerlab / hoomd-blue

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

http://glotzerlab.engin.umich.edu/hoomd-blue

BSD 3-Clause "New" or "Revised" License

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Refactor common HPMC pair potential features into a base class #1835

Open joaander opened 3 weeks ago

joaander commented 3 weeks ago

Description

This includes

r_cut handling
pre-computation of shift and XPLOR smoothing parameters (#1817)

Motivation and context

Improve performance by pre-computing constants.
Reduce code duplication when we implement new pair potentials in HPMC.