/tools/sparrow

sparrow

qcscine/sparrow

86 stars16 forksC++WebsiteAdded February 4, 2026
summary

Sparrow is a software package designed for fast semiempirical quantum chemical calculations, providing methods to calculate electronic energies, nuclear gradients, and transition dipoles. It is part of the SCINE framework, which focuses on chemical interaction networks and molecular simulations.

topics

chemistrycomputational-chemistryquantum-chemistry

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