v0.10.0

v0.10.0 (2026-09-29)

This release is published under the MIT License.

Features

• Add dftb_hamiltonian_gradient node to calculate TD-DFTB Hamiltonian gradient and update module exports (fc1d54a)

• Introduced dftb_hamiltonian_gradient node for computing ⟨ψᵢ|∇H|ψⱼ⟩ with TD-DFTB.

• Updated Dockerfile to standardize DFTB+ installation path.

• Documented new node in README.md and updated __init__.py exports.

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Detailed Changes: v0.9.1...v0.10.0