hamilt::Overlap< T > Class Template Reference

#include <overlap.h>

Inheritance diagram for hamilt::Overlap< T >:

Collaboration diagram for hamilt::Overlap< T >:

Public Member Functions
void	contributeHk (int ik)

Detailed Description

template<class T>
class hamilt::Overlap< T >

The Overlap class template inherits from class T it is used to calculate the overlap of wavefunction basis Template parameters:

• T: base class, it would be OperatorLCAO<TK> or OperatorPW<TK>
• TR: data type of real space Hamiltonian, it would be double or std::complex<double>

Member Function Documentation

contributeHk()

template<typename TK , typename TR >

void hamilt::Overlap< TK, TR >::contributeHk

(

int

ik

)

if k vector is not changed, then do nothing and return, only for gamma_only case

set SK to zero and then calculate SK for each k vector

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_operator_lcao/overlap.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_operator_lcao/overlap.cpp