#include <Exx_LRI.h>
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| Exx_LRI (const Exx_Info::Exx_Info_RI &info_in) |
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Exx_LRI | operator= (const Exx_LRI &)=delete |
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Exx_LRI | operator= (Exx_LRI &&) |
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void | init (const MPI_Comm &mpi_comm_in, const UnitCell &ucell, const K_Vectors &kv_in, const LCAO_Orbitals &orb) |
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void | cal_exx_ions (const UnitCell &ucell, const bool write_cv=false) |
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void | cal_exx_elec (const std::vector< std::map< TA, std::map< TAC, RI::Tensor< Tdata > > > > &Ds, const UnitCell &ucell, const Parallel_Orbitals &pv, const ModuleSymmetry::Symmetry_rotation *p_symrot=nullptr) |
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void | cal_exx_force (const int &nat) |
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void | cal_exx_stress (const double &omega, const double &lat0) |
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void | reset_Cs (const std::map< TA, std::map< TAC, RI::Tensor< Tdata > > > &Cs_in) |
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void | reset_Vs (const std::map< TA, std::map< TAC, RI::Tensor< Tdata > > > &Vs_in) |
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static constexpr std::size_t | Ndim = 3 |
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◆ TA
template<typename Tdata >
◆ TAC
template<typename Tdata >
◆ TatomR
template<typename Tdata >
using Exx_LRI< Tdata >::TatomR = std::array<double,Ndim> |
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private |
◆ TC
template<typename Tdata >
◆ Tcell
template<typename Tdata >
using Exx_LRI< Tdata >::Tcell = int |
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private |
◆ Exx_LRI()
template<typename Tdata >
◆ cal_exx_elec()
template<typename Tdata >
◆ cal_exx_force()
template<typename Tdata >
void Exx_LRI< Tdata >::cal_exx_force |
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const int & |
nat | ) |
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◆ cal_exx_ions()
template<typename Tdata >
void Exx_LRI< Tdata >::cal_exx_ions |
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const UnitCell & |
ucell, |
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const bool |
write_cv = false |
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) |
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◆ cal_exx_stress()
template<typename Tdata >
void Exx_LRI< Tdata >::cal_exx_stress |
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const double & |
omega, |
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const double & |
lat0 |
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) |
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◆ init()
template<typename Tdata >
◆ operator=() [1/2]
template<typename Tdata >
◆ operator=() [2/2]
template<typename Tdata >
◆ post_process_Eexx()
template<typename Tdata >
double Exx_LRI< Tdata >::post_process_Eexx |
( |
const double & |
Eexx_in | ) |
const |
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private |
◆ post_process_Hexx()
template<typename Tdata >
void Exx_LRI< Tdata >::post_process_Hexx |
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std::map< TA, std::map< TAC, RI::Tensor< Tdata > > > & |
Hexxs_io | ) |
const |
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private |
◆ reset_Cs()
template<typename Tdata >
void Exx_LRI< Tdata >::reset_Cs |
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const std::map< TA, std::map< TAC, RI::Tensor< Tdata > > > & |
Cs_in | ) |
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inline |
◆ reset_Vs()
template<typename Tdata >
void Exx_LRI< Tdata >::reset_Vs |
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const std::map< TA, std::map< TAC, RI::Tensor< Tdata > > > & |
Vs_in | ) |
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inline |
◆ Exx_LRI_Interface< double, Tdata >
template<typename Tdata >
◆ Exx_LRI_Interface< std::complex< double >, Tdata >
template<typename Tdata >
◆ LR::ESolver_LR< double, double >
template<typename Tdata >
◆ LR::ESolver_LR< std::complex< double >, double >
template<typename Tdata >
◆ LR::OperatorLREXX< double >
template<typename Tdata >
◆ LR::OperatorLREXX< std::complex< double > >
template<typename Tdata >
◆ RPA_LRI< double, Tdata >
template<typename Tdata >
friend class RPA_LRI< double, Tdata > |
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friend |
◆ RPA_LRI< std::complex< double >, Tdata >
template<typename Tdata >
friend class RPA_LRI< std::complex< double >, Tdata > |
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friend |
◆ abfs
template<typename Tdata >
◆ coulomb_settings
template<typename Tdata >
◆ Eexx
template<typename Tdata >
◆ exx_lri
template<typename Tdata >
◆ exx_objs
template<typename Tdata >
◆ force_exx
template<typename Tdata >
◆ Hexxs
template<typename Tdata >
std::vector< std::map<TA, std::map<TAC, RI::Tensor<Tdata> > > > Exx_LRI< Tdata >::Hexxs |
◆ info
template<typename Tdata >
◆ lcaos
template<typename Tdata >
◆ MGT
template<typename Tdata >
◆ mpi_comm
template<typename Tdata >
MPI_Comm Exx_LRI< Tdata >::mpi_comm |
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private |
◆ Ndim
template<typename Tdata >
constexpr std::size_t Exx_LRI< Tdata >::Ndim = 3 |
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staticconstexprprivate |
◆ orb_cutoff_
template<typename Tdata >
std::vector<double> Exx_LRI< Tdata >::orb_cutoff_ |
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private |
◆ p_kv
template<typename Tdata >
◆ stress_exx
template<typename Tdata >
The documentation for this class was generated from the following files:
- /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_ri/Exx_LRI.h
- /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_ri/Exx_LRI.hpp