occ::mults::CartesianForceResult Struct Reference

Energy and force gradient for a single site pair. More...

#include <cartesian_force.h>

Public Attributes
double	energy = 0.0
Vec3	gradient = Vec3::Zero()

Detailed Description

Energy and force gradient for a single site pair.

Member Data Documentation

energy

double occ::mults::CartesianForceResult::energy = 0.0

gradient

Vec3 occ::mults::CartesianForceResult::gradient = Vec3::Zero()

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

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