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SlaterEMDEvaluator Class Reference

EMD in Slater basis set. More...

#include <emd_sto.h>

Inheritance diagram for SlaterEMDEvaluator:
EMDEvaluator

Public Member Functions

 SlaterEMDEvaluator (const std::vector< std::vector< RadialSlater > > &radf, const std::vector< std::vector< size_t > > &idfuncsv, const std::vector< std::vector< ylmcoeff_t > > &clm, const std::vector< size_t > &locv, const std::vector< coords_t > &coord, const arma::cx_mat &Pv)
 Constructor.
 
 ~SlaterEMDEvaluator ()
 Destructor.
 
SlaterEMDEvaluatoroperator= (const SlaterEMDEvaluator &rhs)
 
- Public Member Functions inherited from EMDEvaluator
 EMDEvaluator ()
 Dummy constructor.
 
 EMDEvaluator (const std::vector< std::vector< size_t > > &idfuncsv, const std::vector< std::vector< ylmcoeff_t > > &clm, const std::vector< size_t > &locv, const std::vector< coords_t > &coord, const arma::cx_mat &Pv, int lp=0, int mp=0)
 
 ~EMDEvaluator ()
 Destructor.
 
void print () const
 Print the evaluator.
 
void check_norm () const
 Check norms of radial functions.
 
std::complex< double > get (double p) const
 Evaluate radial EMD at p.
 

Private Member Functions

void update_pointers ()
 Update the pointer lists.
 

Private Attributes

std::vector< std::vector
< RadialSlater > > 
radf
 The radial functions.
 

Additional Inherited Members

- Protected Attributes inherited from EMDEvaluator
std::vector< std::vector
< RadialFourier * > > 
rad
 

Detailed Description

EMD in Slater basis set.

Member Function Documentation

SlaterEMDEvaluator & SlaterEMDEvaluator::operator= ( const SlaterEMDEvaluator rhs)

Assignment operator. This is necessary since EMDEvaluator contains pointers to the memory locations of the radial functions, which change whenever assignment takes place.


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