Module grid

Structs

Cell

Grid

GridInfo

Keyword

Link

MoleculeInfo

Point

Enums

DelaunayResult

Functions

delaunay

The principal purpose of this function is to perform a Delaunay triangulation for the set of points defined by the input argument ‘g’. This is achieved via routines in the 3rd-party package qhull.

pre_define

read_or_build_grid

set_default_grid