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Cython perf simplification#861

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zerothi merged 14 commits intomainzerothi/sisl:mainfrom cython-perf-simplificationzerothi/sisl:cython-perf-simplificationCopy head branch name to clipboardNov 26, 2024

+3,513-4,533

Commits

Commits on Nov 25, 2024

• complete rewrite of cython files

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• offloaded NC/SO calculations to simple routines

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• redid fold_csr_matrix for much better perf

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• fixed print-out of cmake-variables and ensured Fortran is enabled

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• added the changelog

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• cleaned spin-box extraction of matrix data

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• fixed handling complex matrices in sisl

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• removed unused variable

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• fixed wrong object usage in mulliken extraction

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• added explanation of how transform works

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• fixed nc compilation with complex numbers

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• wrong usage of siesta2sisl

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Commits on Nov 26, 2024

• added more tests for dtype conversion

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• fixed bug in mock netCDF4

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