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updated 2 years ago

Rapidly find the points lying inside a cut-off radius by sunil anandatheertha

This completely vectorized code helps you find all points within a cut-off radius from given point. (molecular dynamics, molecular mechanics, nanotechnology)



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updated 5 years ago

Neighborlist building routine for molecular dynamics by Wenzhe Shan

This routine returns interaction pairs for a given set of atoms in 3D space. (simulation, molecular dynamics)

md_neighlist_cube( ...

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