quacc – The Quantum Accelerator

What's Changed

• Refactor VASP parameter swaps by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3464
• Add MLIP-compatible recipes docs page by @hanaol in https://github.com/Quantum-Accelerators/quacc/pull/3457
• Raises the quacc[mp] extra's floor from atomate2>=0.0.14 to atomate2>=0.1.5 by @hanaol in https://github.com/Quantum-Accelerators/quacc/pull/3466
• Add an Examples section to relax_job by @RussellKwon in https://github.com/Quantum-Accelerators/quacc/pull/3467
• Hyperlink recipe names to their API reference by @hanaol in https://github.com/Quantum-Accelerators/quacc/pull/3468
• Add database-compatible recipes docs page by @hanaol in https://github.com/Quantum-Accelerators/quacc/pull/3469
• Handle graceful MD wall-time interruptions by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3456
• Fix edit links for generated code reference pages by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3472
• docs: acknowledge NSF support under Award OAC-2514141 by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3473
• Rename mp extra to atomate2 by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3471

New Contributors

• @hanaol made their first contribution in https://github.com/Quantum-Accelerators/quacc/pull/3457

Full Changelog: https://github.com/Quantum-Accelerators/quacc/compare/v1.5.9...v1.5.10