diff --git a/interfaces/ASE_interface/README.md b/interfaces/ASE_interface/README.md index 824e69900d..a68a756c9d 100644 --- a/interfaces/ASE_interface/README.md +++ b/interfaces/ASE_interface/README.md @@ -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 @@ -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) \ No newline at end of file +- GitHub: [deepmodeling/abacus-develop](https://github.com/deepmodeling/abacus-develop)