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Add atst examples in ASE interfaces examples #7608

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Add atst examples in ASE interfaces examples #7608

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docs: add optional atst-tools examples
QuantumMisaka Jul 7, 2026
549ff13
Merge branch 'develop' into feat/atst_example
QuantumMisaka Jul 8, 2026
e8e0f0f
docs: link optional ATST-Tools workflows
QuantumMisaka Jul 16, 2026
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6 changes: 5 additions & 1 deletion interfaces/ASE_interface/README.md
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Expand Up @@ -33,6 +33,10 @@ Please refer to the example scripts in the `examples` folder. Recommended learni
8. **metadynamics.py** - Metadynamics simulation
9. **neb.py** - Nudged Elastic Band (NEB) calculation

### Advanced optional workflows

For advanced ASE transition-state workflows, see [ATST-Tools](https://github.com/QuantumMisaka/atst-tools), an independent optional project that can use `abacuslite` as its ABACUS ASE calculator backend. ATST-Tools is not an ABACUS or abacuslite dependency; its installation, commands, configurations, runnable cases, and validation are maintained in its own repository. See the [ABACUSLite Wrapper Guide](https://github.com/QuantumMisaka/atst-tools/blob/main/docs/user/ABACUSLITE_WRAPPER_GUIDE.md) and the [ABACUS-backed NEB example](https://github.com/QuantumMisaka/atst-tools/tree/main/examples/01_neb_Li-Si).

More usage examples will be provided in future versions.

## Authors
Expand All @@ -54,4 +58,4 @@ Thanks to the ABACUS development team for their support and contributions.

If you have any questions or suggestions, please contact us through:

- GitHub: [deepmodeling/abacus-develop](https://github.com/deepmodeling/abacus-develop)
- GitHub: [deepmodeling/abacus-develop](https://github.com/deepmodeling/abacus-develop)
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