namdtools.pme.get_pme_size

namdtools.pme.get_pme_size(a)[source]

Given a box length, figure out the grid size for PME. We are looking for the PME size that’s ~1 grid spacing, while with only small prime factors 2, 3, and 5.

Parameters:

a (numeric) – Size of box length.

Returns:

Size of PME grid length.

Return type:

int