autoplex.misc.utils.mock_custom_builder

Simple example generator for amorphous structures.

Generates structures according to a formula and target density using a random hard sphere approach. Used for testing the CustomRandomizedStructure maker. Note that this script deliberately does NOT create any jobs or flows, as it is designed to mimic an external tool similar to buildcell.

Functions

add_atom	Find a suitable position for a new atom.
calculate_cell_size	Calculate the lattice parameter for the simulation cell.
mock_generate_structure	Generate a unit cell and populate it at random.