occ::mults::ShortRangeInteraction::EnergyAndDerivatives Struct Reference

Result structure containing energy and derivatives. More...

#include <short_range.h>

Public Attributes
double	energy
	Potential energy V(r)
double	first_derivative
	First derivative dV/dr.
double	second_derivative
	Second derivative d²V/dr²

Detailed Description

Result structure containing energy and derivatives.

Member Data Documentation

energy

double occ::mults::ShortRangeInteraction::EnergyAndDerivatives::energy

Potential energy V(r)

first_derivative

double occ::mults::ShortRangeInteraction::EnergyAndDerivatives::first_derivative

First derivative dV/dr.

second_derivative

double occ::mults::ShortRangeInteraction::EnergyAndDerivatives::second_derivative

Second derivative d²V/dr²

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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