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deepmodeling / dpnegf Public

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Implement batched RGF refactorization and related unit tests#27

Merged

AsymmetryChou merged 8 commits into

deepmodeling:maindeepmodeling/dpnegf:mainfrom

AsymmetryChou:rgf_accAsymmetryChou/dpnegf-dpm:rgf_accCopy head branch name to clipboard

Jun 12, 2026

Conversation Commits8 (8)Checks Files changed

Merged

Implement batched RGF refactorization and related unit tests#27
AsymmetryChou merged 8 commits into
deepmodeling:mainfrom
AsymmetryChou:rgf_acc

Commits

Commits on Jun 11, 2026

add batched refactorization in rgf kernel
AsymmetryChou
committed
add batched RGF unit test
AsymmetryChou
committed
.conj().T → .mH in sigmaLR2Gamma so lead.gamma works on both [n,n] and [B,n,n] self-energies.
AsymmetryChou
committed
refactor device_property.py for batched-E calculaiton
AsymmetryChou
committed
add batched Energy green's function calculaiton in NEGF.py
AsymmetryChou
committed
add e_batch_size and update related files
AsymmetryChou
committed
add unit test for batched Energy device property calculation
AsymmetryChou
committed
update e_batch_size argument to be optional
AsymmetryChou
committed

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