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occ::slater::Basis Class Reference

#include <slaterbasis.h>

Public Member Functions

 Basis ()
 
 Basis (const std::vector< Shell > &)
 
double rho (double r) const
 
double grad_rho (double r) const
 
Vec rho (const Vec &) const
 
Vec grad_rho (const Vec &) const
 
void renormalize ()
 
void unnormalize ()
 
const auto & shells () const
 

Constructor & Destructor Documentation

◆ Basis() [1/2]

occ::slater::Basis::Basis ( )
inline

◆ Basis() [2/2]

occ::slater::Basis::Basis ( const std::vector< Shell > &  )

Member Function Documentation

◆ grad_rho() [1/2]

Vec occ::slater::Basis::grad_rho ( const Vec &  ) const

◆ grad_rho() [2/2]

double occ::slater::Basis::grad_rho ( double  r) const

◆ renormalize()

void occ::slater::Basis::renormalize ( )

◆ rho() [1/2]

Vec occ::slater::Basis::rho ( const Vec &  ) const

◆ rho() [2/2]

double occ::slater::Basis::rho ( double  r) const

◆ shells()

const auto & occ::slater::Basis::shells ( ) const
inline

◆ unnormalize()

void occ::slater::Basis::unnormalize ( )

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