pele.utils.cell_scale

Module source

A set of utilities functions that determines the appropriate arguments for putting particles in a box.

pele.utils.cell_scale.get_ncellsx_scale()

Source

def get_ncellsx_scale(radii, boxv, omp_threads=None):

gets the cell scale for given radii and boxv

pele.utils.cell_scale.get_box_length()

Source

def get_box_length(radii, dim: int, phi: float) -> float:

gets the box length for a given number of particles and given packing fraction