occ::interaction::LatticeEnergyCalculator Class Reference

#include <lattice_energy.h>

Public Member Functions
	LatticeEnergyCalculator (std::unique_ptr< EnergyModelBase > model, const crystal::Crystal &crystal, const std::string &basename, LatticeConvergenceSettings settings)
LatticeEnergyResult	compute ()

Constructor & Destructor Documentation

LatticeEnergyCalculator()

occ::interaction::LatticeEnergyCalculator::LatticeEnergyCalculator	(	std::unique_ptr< EnergyModelBase >	model,
		const crystal::Crystal &	crystal,
		const std::string &	basename,
		LatticeConvergenceSettings	settings
	)

Member Function Documentation

compute()

LatticeEnergyResult occ::interaction::LatticeEnergyCalculator::compute

(

)

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

• /home/runner/work/occ/occ/include/occ/interaction/lattice_energy.h