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Atomic-orbital Based Ab-initio Computation at UStc
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Public Member Functions | Public Attributes | Private Member Functions | Private Attributes | List of all members
Data Class Reference

#include <data.h>

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Public Member Functions

 ~Data ()
 
void load_data (Input &input, const int ndata, std::string *dir, const torch::Device device)
 
torch::Tensor get_data (std::string parameter, const int ikernel)
 
void loadTensor (std::string file, std::vector< long unsigned int > cshape, bool fortran_order, std::vector< double > &container, const int index, const int fftdim, torch::Tensor &data)
 
void dumpTensor (const torch::Tensor &data, std::string filename, int nx)
 
std::string file_name (std::string parameter, const int kernel_type, const double kernel_scaling)
 

Public Attributes

int nx = 0
 
int nx_tot = 0
 
torch::Tensor rho
 
torch::Tensor nablaRho
 
torch::Tensor tau_tf
 
torch::Tensor gamma
 
torch::Tensor p
 
torch::Tensor q
 
torch::Tensor tanhp
 
torch::Tensor tanhq
 
std::vector< torch::Tensor > gammanl = {}
 
std::vector< torch::Tensor > pnl = {}
 
std::vector< torch::Tensor > qnl = {}
 
std::vector< torch::Tensor > xi = {}
 
std::vector< torch::Tensor > tanhxi = {}
 
std::vector< torch::Tensor > tanhxi_nl = {}
 
std::vector< torch::Tensor > tanh_pnl = {}
 
std::vector< torch::Tensor > tanh_qnl = {}
 
std::vector< torch::Tensor > tanhp_nl = {}
 
std::vector< torch::Tensor > tanhq_nl = {}
 
torch::Tensor enhancement
 
torch::Tensor pauli
 
torch::Tensor enhancement_mean
 
torch::Tensor tau_mean
 
torch::Tensor pauli_mean
 
bool load_gamma = false
 
bool load_p = false
 
bool load_q = false
 
bool load_tanhp = false
 
bool load_tanhq = false
 
bool * load_gammanl = nullptr
 
bool * load_pnl = nullptr
 
bool * load_qnl = nullptr
 
bool * load_xi = nullptr
 
bool * load_tanhxi = nullptr
 
bool * load_tanhxi_nl = nullptr
 
bool * load_tanh_pnl = nullptr
 
bool * load_tanh_qnl = nullptr
 
bool * load_tanhp_nl = nullptr
 
bool * load_tanhq_nl = nullptr
 

Private Member Functions

void init_label (Input &input)
 
void init_data (const int nkernel, const int ndata, const int fftdim, const torch::Device device)
 
void load_data_ (Input &input, const int ndata, const int fftdim, std::string *dir)
 

Private Attributes

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

Constructor & Destructor Documentation

◆ ~Data()

Data::~Data ( )

Member Function Documentation

◆ dumpTensor()

void Data::dumpTensor ( const torch::Tensor &  data,
std::string  filename,
int  nx 
)
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◆ file_name()

std::string Data::file_name ( std::string  parameter,
const int  kernel_type,
const double  kernel_scaling 
)
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◆ get_data()

torch::Tensor Data::get_data ( std::string  parameter,
const int  ikernel 
)

◆ init_data()

void Data::init_data ( const int  nkernel,
const int  ndata,
const int  fftdim,
const torch::Device  device 
)
private
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◆ init_label()

void Data::init_label ( Input input)
private
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◆ load_data()

void Data::load_data ( Input input,
const int  ndata,
std::string *  dir,
const torch::Device  device 
)
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◆ load_data_()

void Data::load_data_ ( Input input,
const int  ndata,
const int  fftdim,
std::string *  dir 
)
private
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◆ loadTensor()

void Data::loadTensor ( std::string  file,
std::vector< long unsigned int >  cshape,
bool  fortran_order,
std::vector< double > &  container,
const int  index,
const int  fftdim,
torch::Tensor &  data 
)
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Member Data Documentation

◆ cTF

const double Data::cTF = 3.0/10.0 * std::pow(3*std::pow(M_PI, 2.0), 2.0/3.0) * 2
private

◆ enhancement

torch::Tensor Data::enhancement

◆ enhancement_mean

torch::Tensor Data::enhancement_mean

◆ gamma

torch::Tensor Data::gamma

◆ gammanl

std::vector<torch::Tensor> Data::gammanl = {}

◆ load_gamma

bool Data::load_gamma = false

◆ load_gammanl

bool* Data::load_gammanl = nullptr

◆ load_p

bool Data::load_p = false

◆ load_pnl

bool* Data::load_pnl = nullptr

◆ load_q

bool Data::load_q = false

◆ load_qnl

bool* Data::load_qnl = nullptr

◆ load_tanh_pnl

bool* Data::load_tanh_pnl = nullptr

◆ load_tanh_qnl

bool* Data::load_tanh_qnl = nullptr

◆ load_tanhp

bool Data::load_tanhp = false

◆ load_tanhp_nl

bool* Data::load_tanhp_nl = nullptr

◆ load_tanhq

bool Data::load_tanhq = false

◆ load_tanhq_nl

bool* Data::load_tanhq_nl = nullptr

◆ load_tanhxi

bool* Data::load_tanhxi = nullptr

◆ load_tanhxi_nl

bool* Data::load_tanhxi_nl = nullptr

◆ load_xi

bool* Data::load_xi = nullptr

◆ nablaRho

torch::Tensor Data::nablaRho

◆ nx

int Data::nx = 0

◆ nx_tot

int Data::nx_tot = 0

◆ p

torch::Tensor Data::p

◆ pauli

torch::Tensor Data::pauli

◆ pauli_mean

torch::Tensor Data::pauli_mean

◆ pnl

std::vector<torch::Tensor> Data::pnl = {}

◆ q

torch::Tensor Data::q

◆ qnl

std::vector<torch::Tensor> Data::qnl = {}

◆ rho

torch::Tensor Data::rho

◆ tanh_pnl

std::vector<torch::Tensor> Data::tanh_pnl = {}

◆ tanh_qnl

std::vector<torch::Tensor> Data::tanh_qnl = {}

◆ tanhp

torch::Tensor Data::tanhp

◆ tanhp_nl

std::vector<torch::Tensor> Data::tanhp_nl = {}

◆ tanhq

torch::Tensor Data::tanhq

◆ tanhq_nl

std::vector<torch::Tensor> Data::tanhq_nl = {}

◆ tanhxi

std::vector<torch::Tensor> Data::tanhxi = {}

◆ tanhxi_nl

std::vector<torch::Tensor> Data::tanhxi_nl = {}

◆ tau_mean

torch::Tensor Data::tau_mean

◆ tau_tf

torch::Tensor Data::tau_tf

◆ xi

std::vector<torch::Tensor> Data::xi = {}

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