pwtools.random.RandomStructure.get_random_struct

RandomStructure.get_random_struct(fail=True)[source]

Generate random cryst_const and atom coords.

If fail=True, then RandomStructureFail may be raised if structure generation fails (cell_maxtry or atom_maxtry exceeded).

If fail=False, then the process is repeated over and over (may run forever). Use this if you know that your settings (all *_scale inputs) are sensible + struct generation fails “sometimes” and you absolutely want to create a struct.

Parameters:

fail (bool, optional) –

Return type:

Structure

Raises:

RandomStructureFail (if fail=True). –