occ::mults::ShortRangeInteraction::AnisotropicResult Struct Reference

Result from anisotropic repulsion computation. More...

#include <short_range.h>

Public Attributes
double	energy
	Potential energy.
Vec3	force_A
	Force on site A (Cartesian, energy/length)
Vec3	force_B
	Force on site B (Cartesian, energy/length)
Vec3	torque_axis_A
	dE/dψ for rotation of axis A (lab frame)
Vec3	torque_axis_B
	dE/dψ for rotation of axis B (lab frame)

Detailed Description

Result from anisotropic repulsion computation.

Member Data Documentation

energy

double occ::mults::ShortRangeInteraction::AnisotropicResult::energy

Potential energy.

force_A

Vec3 occ::mults::ShortRangeInteraction::AnisotropicResult::force_A

Force on site A (Cartesian, energy/length)

force_B

Vec3 occ::mults::ShortRangeInteraction::AnisotropicResult::force_B

Force on site B (Cartesian, energy/length)

torque_axis_A

Vec3 occ::mults::ShortRangeInteraction::AnisotropicResult::torque_axis_A

dE/dψ for rotation of axis A (lab frame)

torque_axis_B

Vec3 occ::mults::ShortRangeInteraction::AnisotropicResult::torque_axis_B

dE/dψ for rotation of axis B (lab frame)

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

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