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template<typename Tdata > |
RI::Tensor< Tdata > | LRI_CV_Tools::cal_I (const RI::Tensor< Tdata > &m) |
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template<typename Tdata > |
std::vector< std::vector< RI::Tensor< Tdata > > > | LRI_CV_Tools::cal_I (const std::vector< std::vector< RI::Tensor< Tdata > > > &ms) |
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template<typename Tdata > |
RI::Tensor< Tdata > | LRI_CV_Tools::transform_Rm (const RI::Tensor< Tdata > &V) |
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template<typename Tdata > |
std::array< RI::Tensor< Tdata >, 3 > | LRI_CV_Tools::transform_Rm (const std::array< RI::Tensor< Tdata >, 3 > &dV) |
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template<typename Tdata > |
bool | LRI_CV_Tools::exist (const RI::Tensor< Tdata > &V) |
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template<typename T , std::size_t N> |
bool | LRI_CV_Tools::exist (const std::array< T, N > &dV) |
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template<typename Tdata > |
RI::Tensor< Tdata > | LRI_CV_Tools::mul1 (const RI::Tensor< Tdata > &t1, const RI::Tensor< Tdata > &t2) |
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template<typename T > |
std::array< T, 3 > | LRI_CV_Tools::mul1 (const std::array< T, 3 > &t1, const T &t2) |
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template<typename Tdata > |
std::vector< RI::Tensor< Tdata > > | LRI_CV_Tools::mul2 (const std::vector< std::vector< RI::Tensor< Tdata > > > &mat, const std::vector< RI::Tensor< Tdata > > &vec) |
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template<typename T1 , typename T2 > |
std::array< T2, 3 > | LRI_CV_Tools::mul2 (const T1 &t1, const std::array< T2, 3 > &t2) |
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template<typename T > |
RI::Tensor< T > | LRI_CV_Tools::mul2 (const T &t1, const RI::Tensor< T > &t2) |
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template<typename T , typename TkeyA , typename TkeyB , typename Tvalue > |
std::map< TkeyA, std::map< TkeyB, Tvalue > > | LRI_CV_Tools::mul2 (const T &t1, const std::map< TkeyA, std::map< TkeyB, Tvalue > > &t2) |
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template<typename T , std::size_t N> |
std::vector< std::array< T, N > > | LRI_CV_Tools::minus (const std::vector< std::array< T, N > > &v1, const std::vector< std::array< T, N > > &v2) |
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template<typename TkeyA , typename TkeyB , typename Tvalue , std::size_t N> |
std::array< std::map< TkeyA, std::map< TkeyB, Tvalue > >, N > | LRI_CV_Tools::minus (std::array< std::map< TkeyA, std::map< TkeyB, Tvalue > >, N > &v1, std::array< std::map< TkeyA, std::map< TkeyB, Tvalue > >, N > &v2) |
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template<typename TkeyA , typename TkeyB , typename Tvalue , std::size_t N> |
std::map< TkeyA, std::map< TkeyB, std::array< Tvalue, N > > > | LRI_CV_Tools::minus (std::map< TkeyA, std::map< TkeyB, std::array< Tvalue, N > > > &v1, std::map< TkeyA, std::map< TkeyB, std::array< Tvalue, N > > > &v2) |
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template<typename TkeyA , typename TkeyB , typename Tvalue > |
std::map< TkeyA, std::map< TkeyB, Tvalue > > | LRI_CV_Tools::minus (std::map< TkeyA, std::map< TkeyB, Tvalue > > &v1, std::map< TkeyA, std::map< TkeyB, Tvalue > > &v2) |
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template<typename T , std::size_t N> |
std::vector< std::array< T, N > > | LRI_CV_Tools::add (const std::vector< std::array< T, N > > &v1, const std::vector< std::array< T, N > > &v2) |
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template<typename TkeyA , typename TkeyB , typename Tvalue , std::size_t N> |
std::array< std::map< TkeyA, std::map< TkeyB, Tvalue > >, N > | LRI_CV_Tools::add (std::array< std::map< TkeyA, std::map< TkeyB, Tvalue > >, N > &v1, std::array< std::map< TkeyA, std::map< TkeyB, Tvalue > >, N > &v2) |
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template<typename TkeyA , typename TkeyB , typename Tvalue , std::size_t N> |
std::map< TkeyA, std::map< TkeyB, std::array< Tvalue, N > > > | LRI_CV_Tools::add (std::map< TkeyA, std::map< TkeyB, std::array< Tvalue, N > > > &v1, std::map< TkeyA, std::map< TkeyB, std::array< Tvalue, N > > > &v2) |
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template<typename TkeyA , typename TkeyB , typename Tvalue > |
std::map< TkeyA, std::map< TkeyB, Tvalue > > | LRI_CV_Tools::add (std::map< TkeyA, std::map< TkeyB, Tvalue > > &v1, std::map< TkeyA, std::map< TkeyB, Tvalue > > &v2) |
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template<typename T , std::size_t N> |
std::array< T, N > | LRI_CV_Tools::negative (const std::array< T, N > &v_in) |
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template<typename Tdata > |
RI::Tensor< Tdata > | LRI_CV_Tools::transpose12 (const RI::Tensor< Tdata > &c_in) |
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template<typename T , std::size_t N> |
std::array< T, N > | LRI_CV_Tools::transpose12 (const std::array< T, N > &c_in) |
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template<typename T , std::size_t N> |
std::array< std::vector< T >, N > | LRI_CV_Tools::change_order (std::vector< std::array< T, N > > &&ds_in) |
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template<typename T , std::size_t N> |
std::vector< std::array< T, N > > | LRI_CV_Tools::change_order (std::array< std::vector< T >, N > &&ds_in) |
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template<typename T , std::size_t N> |
std::array< std::vector< std::vector< T > >, N > | LRI_CV_Tools::change_order (std::vector< std::vector< std::array< T, N > > > &&ds_in) |
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template<typename TkeyA , typename TkeyB , typename Tvalue , std::size_t N> |
std::array< std::map< TkeyA, std::map< TkeyB, Tvalue > >, N > | LRI_CV_Tools::change_order (std::map< TkeyA, std::map< TkeyB, std::array< Tvalue, N > > > &&ds_in) |
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template<typename TkeyA , typename TkeyB , typename Tvalue , std::size_t N> |
std::map< TkeyA, std::map< TkeyB, std::array< Tvalue, N > > > | LRI_CV_Tools::change_order (std::array< std::map< TkeyA, std::map< TkeyB, Tvalue > >, N > &&ds_in) |
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template<typename Tcell > |
std::array< Tcell, 3 > | LRI_CV_Tools::cal_latvec_range (const double &rcut_times, const UnitCell &ucell, const std::vector< double > &orb_cutoff) |
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template<typename TA , typename Tcell , typename Tdata > |
std::map< int, std::map< int, std::map< Abfs::Vector3_Order< double >, RI::Tensor< Tdata > > > > | LRI_CV_Tools::get_CVws (const UnitCell &ucell, const std::map< TA, std::map< std::pair< TA, std::array< Tcell, 3 > >, RI::Tensor< Tdata > > > &CVs) |
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template<typename TA , typename Tcell , typename Tdata > |
std::map< int, std::map< int, std::map< Abfs::Vector3_Order< double >, std::array< RI::Tensor< Tdata >, 3 > > > > | LRI_CV_Tools::get_dCVws (const UnitCell &ucell, const std::map< TA, std::map< std::pair< TA, std::array< Tcell, 3 > >, std::array< RI::Tensor< Tdata >, 3 > > > &dCVs) |
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template<typename TA , typename TC , typename Tdata > |
std::array< std::array< std::map< TA, std::map< std::pair< TA, TC >, RI::Tensor< Tdata > > >, 3 >, 3 > | LRI_CV_Tools::cal_dMRs (const UnitCell &ucell, const std::array< std::map< TA, std::map< std::pair< TA, TC >, RI::Tensor< Tdata > > >, 3 > &dMs) |
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template<typename T > |
TLRI< T > | LRI_CV_Tools::read_Cs_ao (const std::string &file_path, const double &threshold=1e-10) |
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template<typename T > |
void | LRI_CV_Tools::write_Cs_ao (const TLRI< T > &Vs, const std::string &file_path) |
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template<typename T > |
TLRI< T > | LRI_CV_Tools::read_Vs_abf (const std::string &file_path, const double &threshold=1e-10) |
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template<typename T > |
void | LRI_CV_Tools::write_Vs_abf (const TLRI< T > &Vs, const std::string &file_path) |
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template<typename Tdata , typename = std::enable_if_t<!is_std_array<Tdata>::value>> |
void | LRI_CV_Tools::init_elem (Tdata &data, const size_t ndim0, const size_t ndim1) |
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template<typename T , std::size_t N> |
void | LRI_CV_Tools::init_elem (std::array< RI::Tensor< T >, N > &data, const size_t ndim0, const size_t ndim1) |
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template<typename Tdata , typename = std::enable_if_t<!is_std_array<Tdata>::value && !is_tensor<Tdata>::value>> |
void | LRI_CV_Tools::add_elem (Tdata &data, const Tdata &val, const Tdata &frac) |
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template<typename T , std::size_t N> |
void | LRI_CV_Tools::add_elem (std::array< T, N > &data, const T &val, const T &frac) |
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template<typename Tdata , typename = std::enable_if_t<is_tensor<Tdata>::value>> |
void | LRI_CV_Tools::add_elem (const Tdata &data, const int lmp, const int lmq, const typename TinType< Tdata >::type &val, const typename TinType< Tdata >::type &frac) |
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template<typename T , std::size_t N> |
void | LRI_CV_Tools::add_elem (std::array< RI::Tensor< T >, N > &data, const int lmp, const int lmq, const std::array< T, N > &val, const T &frac) |
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template<typename Tdata , typename = std::enable_if_t<is_tensor<Tdata>::value>> |
void | LRI_CV_Tools::add_elem (Tdata &data, const int lmp0, const int lmq0, const Tdata &val, const int lmp1, const int lmq1, const typename TinType< Tdata >::type &frac) |
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template<typename T , std::size_t N> |
void | LRI_CV_Tools::add_elem (std::array< RI::Tensor< T >, N > &data, const int lmp0, const int lmq0, const std::array< RI::Tensor< T >, N > &val, const int lmp1, const int lmq1, const T &frac) |
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template<typename Tout , typename Tin > |
RI::Tensor< Tout > | LRI_CV_Tools::convert (RI::Tensor< Tin > &&data) |
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template<typename Tout , typename Tin , std::size_t N> |
std::array< RI::Tensor< Tout >, N > | LRI_CV_Tools::convert (std::array< RI::Tensor< Tin >, N > &&data) |
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