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Merge branch 'fix-jdftx-syntax' of https://github.com/DanielYang59/pymatgen into fix-jdftx-syntax
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src/pymatgen/io/jdftx/outputs.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -325,7 +325,7 @@ def _get_pmg_projections(self) -> dict | None:
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projections[spins[i]] = np.zeros([nbands, nkpt, norbmax, len(self.outfile.structure)])
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# TODO: Consider jitting this loop
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for u in range(nproj):
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idx = (slice(None), slice(None),) + tuple(u_to_oa_map[u])
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idx = (slice(None), slice(None), *tuple(u_to_oa_map[u]))
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projections[spins[i]][idx] += proj_sjku[i, :, :, u]
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return projections
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