#!/usr/bin/env python ''' Demonstration of helper functions. ''' from pyscf import dft, gto from var_mesh import plot_mesh_2d, plot_mesh_3d mol = gto.M(atom='O 0 0 0; H 0 0 0.95691; H 0.95691 0 -0.23987') mesh = dft.Grids(mol) mesh.level = 0 mesh.build() # Plot the mesh with helper functions plot_mesh_3d(mesh, weight=True) plot_mesh_2d(mesh, weight=5, plane='xz')