Learn how to interact with this route using the Ouro SDK or REST API.
API access requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY in your environment.
Parameters and request body schema for this route.
This field is automatically populated by Ouro when using input_asset or constructed with ouro.files.retrieve()
tb2jMAE calculation method
Range: 50 to 100
Plane wave cutoff energy in Ry
SCF convergence threshold in Ha
Range: 0.1 to 0.8
K-point spacing in 1/Å
Range: 50 to 200
Maximum number of SCF iterations
List of magnetization directions to test
Range: to 1
Energy range for smearing in Ry
fixedgaussgaussianmpmp2mvcoldfdOccupation and smearing method: fixed (non-conductors only), gauss/gaussian, mp (metals), mp2 (metals), mv/cold, fd (Fermi-Dirac)
Get route metadata including name, visibility, description, and endpoint details. You can retrieve by route ID or identifier.
Execute the route endpoint with request body, query parameters, or path parameters.
input_assetThis route accepts a file as input. You can pass an asset using the input_asset parameter and Ouro will handle including it in the request.
Alternatively, you can retrieve a file and include its details directly in the request body.
Get the request and response history for this route. Actions are especially useful for long-running routes where you can poll the status and retrieve the response when ready.
import os
from ouro import Ouro
# Set OURO_API_KEY in your environment or replace os.environ.get("OURO_API_KEY")
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
# Option 1: Retrieve by route ID
route_id = "1254eec1-82de-40fc-bd15-c3247dd22ac3"
route = ouro.routes.retrieve(route_id)
# Option 2: Retrieve by route identifier (username/route-name)
route_identifier = "mmoderwell/calculate-magnetic-anisotropy-energy"
route = ouro.routes.retrieve(route_identifier)
print(route.name, route.visibility)
print(route.metadata)# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/calculate-magnetic-anisotropy-energy")
# Use the route with a request body
response = route.use(
body={
'file': {
'url': 'example_string',
'type': 'example_string',
'org_id': 'example_string',
'team_id': 'example_string',
'filename': 'example_string',
'visibility': 'example_string'
},
'method': 'tb2j',
'ecutwfc': 65,
'scf_thr': 0.000001,
'kspacing': 0.16,
'scf_nmax': 100,
'smearing_sigma': 0.05,
'smearing_method': 'mp'
}
)
print(response)# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/calculate-magnetic-anisotropy-energy")
# Use route with input_asset - Ouro handles passing the file to the route
response = route.use(
body={
'method': 'tb2j',
'ecutwfc': 65,
'scf_thr': 0.000001,
'kspacing': 0.16,
'scf_nmax': 100,
'smearing_sigma': 0.05,
'smearing_method': 'mp'
},
input_asset={
"assetId": "your-file-id",
"assetType": "file"
},
)
print(response)# Retrieve a file to use as input
file = ouro.files.retrieve("your-file-id") # or "username/file-name"
# Use the route with the file in the request body
response = ouro.routes.use(
"mmoderwell/calculate-magnetic-anisotropy-energy",
body={
"file": {
"type": file.metadata.type,
"filename": file.metadata.name,
"url": file.data.url
}
},
)
print(response)# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/calculate-magnetic-anisotropy-energy")
# Read all actions (request/response history) for this route
actions = route.read_actions()
print(actions)
# Actions are especially useful for long-running routes
# You can poll the status and retrieve the response when ready
for action in actions:
print(f"Action ID: {action['id']}")
print(f"Status: {action['status']}")
print(f"Response: {action.get('response_data')}")Calculate Magnetic Anisotropy Energy (MAE) using DFT
A new API is available to calculate magnetic anisotropy energy (MAE) using first-principles DFT with ABACUS. It’s designed for researchers who need accurate MAE values and are willing to run longer calculations. Expect 30 minutes to 2 hours per job, depending on system size and convergence. The service runs on an A100 GPU and is priced as a paid API.
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