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Remove unused statement
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marvinfriede committed Apr 21, 2024
1 parent 83b8dee commit 93a1217
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Showing 2 changed files with 1 addition and 6 deletions.
5 changes: 1 addition & 4 deletions src/tad_dftd3/model/c6.py
Original file line number Diff line number Diff line change
Expand Up @@ -193,10 +193,7 @@ def _atomic_c6_full(
# c6 = torch.sum(torch.sum(torch.mul(gw, rc6), dim=-1), dim=-1)

rc6 = reference.c6[numbers.unsqueeze(-1), numbers.unsqueeze(-2)]
return torch.einsum(
"...ijab,...ia,...jb->...ij",
*(rc6, weights, weights),
)
return _einsum(rc6, weights, weights)


def _atomic_c6_chunked(
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2 changes: 0 additions & 2 deletions test/test_model/test_c6.py
Original file line number Diff line number Diff line change
Expand Up @@ -109,8 +109,6 @@ def test_chunked(dtype: torch.dtype, size: int, chunk_size: int) -> None:

###############################################################################

Callable[[Tensor, Tensor, reference.Reference], Tensor]


class C6Func(Protocol):
"""
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