GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, etc) in the Gaussian basis set discretization of Kohn-Sham density function theory (KS-DFT) on heterogenous architectures.
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curl https://depscope.dev/api/check/conda/gauxcFirst published · 2025-12-10 23:07:13.787000+00:00
Last updated · 2026-02-16 09:20:56.322000+00:00