dftfe::AtomicBasisData Class Reference

#include <AtomicBasisData.h>

Public Member Functions
void	evalBasisData (const std::vector< double > &quadpts, const AtomicBasis &atomicBasis, const unsigned int maxDerOrder)
	quadpoints in Cartesian coordinates
const std::vector< double > &	getBasisValues () const
const std::vector< double > &	getBasisGradValues () const
const std::vector< double > &	getBasisLaplacianValues () const

Private Attributes
std::vector< double >	d_basisValues
std::vector< double >	d_basisGradValues
std::vector< double >	d_basisLaplacianValues

Member Function Documentation

evalBasisData()

void dftfe::AtomicBasisData::evalBasisData	(	const std::vector< double > &	quadpts,
		const AtomicBasis &	atomicBasis,
		const unsigned int	maxDerOrder )

quadpoints in Cartesian coordinates

getBasisGradValues()

const std::vector< double > & dftfe::AtomicBasisData::getBasisGradValues

(

)

const

getBasisLaplacianValues()

const std::vector< double > & dftfe::AtomicBasisData::getBasisLaplacianValues

(

)

const

getBasisValues()

const std::vector< double > & dftfe::AtomicBasisData::getBasisValues

(

)

const

Member Data Documentation

d_basisGradValues

std::vector<double> dftfe::AtomicBasisData::d_basisGradValues

private

d_basisLaplacianValues

std::vector<double> dftfe::AtomicBasisData::d_basisLaplacianValues

private

d_basisValues

std::vector<double> dftfe::AtomicBasisData::d_basisValues

private

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

• workspace/include/AtomicBasisData.h