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6 stars written in C
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flame / how-to-optimize-gemm

C 2,006 362 Updated Jul 29, 2023

sunqm / libcint

general GTO integrals for quantum chemistry

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💥 Fast matrix-multiplication as a self-contained Python library – no system dependencies!

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PySCF with auto-differentiation

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C++ library for tensor computations

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A C++ library for evaluating non-orthogonal matrix elements in electronic structure

C 28 7 Updated Feb 19, 2025