occ::dma::MultipoleCalculator Class Reference

Main calculator for multipole moments. More...

#include <multipole_calculator.h>

Public Member Functions
	MultipoleCalculator (const qm::AOBasis &basis, const qm::MolecularOrbitals &mo, const DMASites &sites, const DMASettings &settings)
std::vector< Mult >	calculate ()
	Calculate all multipole moments.

Detailed Description

Main calculator for multipole moments.

Constructor & Destructor Documentation

MultipoleCalculator()

occ::dma::MultipoleCalculator::MultipoleCalculator	(	const qm::AOBasis &	basis,
		const qm::MolecularOrbitals &	mo,
		const DMASites &	sites,
		const DMASettings &	settings
	)

Member Function Documentation

calculate()

std::vector< Mult > occ::dma::MultipoleCalculator::calculate

(

)

Calculate all multipole moments.

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

• /home/runner/work/occ/occ/include/occ/dma/multipole_calculator.h