occ::mults::MoleculeHessianData Struct Reference

Precomputed data for one molecule in the Hessian computation. More...

#include <cartesian_hessian.h>

Public Attributes
std::vector< SiteHessianDerivatives >	sites

Detailed Description

Precomputed data for one molecule in the Hessian computation.

Member Data Documentation

sites

std::vector<SiteHessianDerivatives> occ::mults::MoleculeHessianData::sites

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The documentation for this struct was generated from the following file:

• /home/runner/work/occ/occ/include/occ/mults/cartesian_hessian.h