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Energy Gate Check · Routes on Ouro

1h

Energy Gate Check

Use Docs History Logs

Input

Input file*

Ouro will include this asset when running the route.

threshold

Energy threshold in eV/atom. Structures above this are flagged as broken.

Output

1h

Energy Gate Check

Use Docs History Logs

Input

Input file*

Ouro will include this asset when running the route.

threshold

Energy threshold in eV/atom. Structures above this are flagged as broken.

Output

Overview

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Overview

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Upload a CIF file and receive a single-point energy computation using Orb v3, plus a gate decision (PASS/FAIL) indicating whether the input geometry is physically reasonable before running relaxation.

Part of service

Energy Gate Diagnostic

Upload a CIF file and receive a single-point energy computation using Orb v3, plus a gate decision (PASS/FAIL) indicating whether the input geometry is physically reasonable before running relaxation.

Part of service

Energy Gate Diagnostic

Attribution

·v1.0.0

Execution

Usage

3 callsView history

Activity over timeSuccessFailure

Attribution

·v1.0.0

Execution

Usage

3 callsView history

Activity over timeSuccessFailure

MIT license

services

services

Energy Gate Check

Input

Output

Energy Gate Check

Input

Output

Overview

Overview

Attribution

Attribution