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Pull requests: Open-Quantum-Platform/openqp

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Pull requests list

Expose DFTB modes, diagnostics, and ABI-aware integration
#277 opened Jul 17, 2026 by karmachoi Contributor Loading…
2
fix(qmmm): make embedding=mechanical runnable (zero embedding field)
#274 opened Jul 16, 2026 by karmachoi Contributor Loading…
3
QM/MM: full-ESPF covalent-boundary embedding under TB dispatch (fixes DFTB link-atom energy conservation, enables xTB QM/MM)
#270 opened Jul 11, 2026 by karmachoi Contributor Loading…
5
Add method=xtb: OpenQP-XTB (LC-GFN1-xTB + MRSF) backend adapter
#269 opened Jul 10, 2026 by karmachoi Contributor Loading…
8
Optional complete GPU attachment (MRSF, SCF, DFT, gradients) via a separate openqp-gpu library — default off
#265 opened Jul 5, 2026 by karmachoi Contributor Loading…
8
Fix numerical NAC factor-2 and unify energy-gap sign
#160 opened May 31, 2026 by karmachoi Contributor • Draft
2
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