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occ::isosurface::ElectronDensityFunctor Class Reference

#include <electron_density.h>

Public Member Functions

 ElectronDensityFunctor (const occ::qm::Wavefunction &wfn, int mo_index=-1)
 
void batch (Eigen::Ref< const FMat3N > pos, Eigen::Ref< FVec > layer) const
 
int num_calls () const
 
void set_orbital_index (int idx)
 

Constructor & Destructor Documentation

◆ ElectronDensityFunctor()

occ::isosurface::ElectronDensityFunctor::ElectronDensityFunctor ( const occ::qm::Wavefunction wfn,
int  mo_index = -1 
)

Member Function Documentation

◆ batch()

void occ::isosurface::ElectronDensityFunctor::batch ( Eigen::Ref< const FMat3N pos,
Eigen::Ref< FVec layer 
) const
inline

◆ num_calls()

int occ::isosurface::ElectronDensityFunctor::num_calls ( ) const
inline

◆ set_orbital_index()

void occ::isosurface::ElectronDensityFunctor::set_orbital_index ( int  idx)

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