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Quantum-Accelerators / quacc

quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
https://quantum-accelerators.github.io/quacc/
BSD 3-Clause "New" or "Revised" License
167 stars 45 forks source link

Allow for the use of `@flow`s with Jobflow #1061

Open Andrew-S-Rosen opened 11 months ago

Andrew-S-Rosen commented 11 months ago

What new feature would you like to see?

Hinges on two things:

Andrew-S-Rosen commented 4 weeks ago

We might be able to use Covalent as an intermediary to get the Jobflow Flow since they have a nice compiler for the Lattice objects.

import covalent as ct
import json

@ct.electron
def add(a, b):
    return a+b

@ct.lattice
def my_flow(a, b):
    return add(a, b)

my_flow.build_graph(1, 2)

json.loads(my_flow.transport_graph.serialize_to_json())