You have already seen the graphs. Pretty much self-explanatory. Think of them in terms of data flow.
One funny aside. Not all dependencies are alike.
from ase.build import bulk from asr.relax import main as relax from asr.gs import main as gs atoms = bulk('Ag') relaxrecord = relax(atoms, calculator=dict(name='emt')) relaxed_atoms = relaxrecord.result.atoms gsrecord = gs(relaxed_atoms, calculator=dict(name='gpaw', precision='low', txt=None))
The same behaviour can be obtained at the command line:
$ ase build Ag unrelaxed.json -x fcc $ asr run "relax --calculator name='emt'" | asr run "gs --atoms stdin.result.atoms --calculator name='gpaw',precision='low',txt=None"