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Class DensityGradient

cpp_core/src/scf.cpp:2127–2130  ·  view source on GitHub ↗

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2125};
2126
2127struct DensityGradient {
2128 std::vector<Vec3d> grad;
2129 std::vector<Vec3d> gcart_by_idx;
2130};
2131
2132DensityGradient compute_density_gradient(
2133 const PlaneWaveBasis& pw,

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