Evolve_OFDFT Class Reference

TDOFDFT. More...

#include <evolve_ofdft.h>

Collaboration diagram for Evolve_OFDFT:

Public Member Functions
	Evolve_OFDFT ()
	~Evolve_OFDFT ()
void	propagate_psi (elecstate::ElecState *pelec, const Charge &chr, UnitCell &ucell, std::vector< std::complex< double > > pphi_, ModulePW::PW_Basis *pw_rho)

Private Member Functions
void	cal_Hpsi (elecstate::ElecState *pelec, const Charge &chr, UnitCell &ucell, std::vector< std::complex< double > > psi_, ModulePW::PW_Basis *pw_rho, std::vector< std::complex< double > > Hpsi)
void	cal_tf_potential (const double *const *prho, ModulePW::PW_Basis *pw_rho, ModuleBase::matrix &rpot)
void	cal_vw_potential_phi (std::vector< std::complex< double > > pphi, ModulePW::PW_Basis *pw_rho, std::vector< std::complex< double > > Hpsi)
void	cal_CD_potential (std::vector< std::complex< double > > psi_, ModulePW::PW_Basis *pw_rho, ModuleBase::matrix &rpot, double mCD_para)

Private Attributes
const double	c_tf_

Detailed Description

TDOFDFT.

Author

liyuanbo on 2025-09

Constructor & Destructor Documentation

Evolve_OFDFT()

Evolve_OFDFT::Evolve_OFDFT ( )

inline

~Evolve_OFDFT()

Evolve_OFDFT::~Evolve_OFDFT ( )

inline

Member Function Documentation

cal_CD_potential()

void Evolve_OFDFT::cal_CD_potential ( std::vector< std::complex< double > >  psi_, ModulePW::PW_Basis *  pw_rho, ModuleBase::matrix &  rpot, double  mCD_para  )

private

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cal_Hpsi()

void Evolve_OFDFT::cal_Hpsi ( elecstate::ElecState *  pelec, const Charge &  chr, UnitCell &  ucell, std::vector< std::complex< double > >  psi_, ModulePW::PW_Basis *  pw_rho, std::vector< std::complex< double > >  Hpsi  )

private

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cal_tf_potential()

void Evolve_OFDFT::cal_tf_potential ( const double *const *  prho, ModulePW::PW_Basis *  pw_rho, ModuleBase::matrix &  rpot  )

private

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cal_vw_potential_phi()

void Evolve_OFDFT::cal_vw_potential_phi ( std::vector< std::complex< double > >  pphi, ModulePW::PW_Basis *  pw_rho, std::vector< std::complex< double > >  Hpsi  )

private

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propagate_psi()

void Evolve_OFDFT::propagate_psi	(	elecstate::ElecState *	pelec,
		const Charge &	chr,
		UnitCell &	ucell,
		std::vector< std::complex< double > >	pphi_,
		ModulePW::PW_Basis *	pw_rho
	)

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Member Data Documentation

c_tf_

const double Evolve_OFDFT::c_tf_

private

Initial value:

= 3.0 / 10.0 * std::pow(3 * std::pow(M_PI, 2.0), 2.0 / 3.0)
          * 2

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_pw/module_ofdft/evolve_ofdft.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_pw/module_ofdft/evolve_ofdft.cpp