occ::xtb::RepulsionEnergyGradient Struct Reference

#include <repulsion.h>

Public Attributes
double	energy
Mat3N	gradient

Member Data Documentation

energy

double occ::xtb::RepulsionEnergyGradient::energy

gradient

Mat3N occ::xtb::RepulsionEnergyGradient::gradient

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

• /home/runner/work/occ/occ/include/occ/xtb/repulsion.h