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Atomic-orbital Based Ab-initio Computation at UStc
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Public Member Functions | Public Attributes | List of all members
NN_OFImpl Struct Reference

#include <nn_of.h>

Inheritance diagram for NN_OFImpl:
Collaboration diagram for NN_OFImpl:

Public Member Functions

 NN_OFImpl (int nrxx, int nrxx_vali, int ninpt, int nnode, int nlayer, torch::Device device)
 
 ~NN_OFImpl ()
 
template<class T >
void set_data (T *data, const std::vector< std::string > &descriptor_type, const std::vector< int > &kernel_index, torch::Tensor &nn_input)
 
torch::Tensor forward (torch::Tensor inpt)
 

Public Attributes

torch::nn::Linear fc1 {nullptr}
 
torch::nn::Linear fc2 {nullptr}
 
torch::nn::Linear fc3 {nullptr}
 
torch::nn::Linear fc4 {nullptr}
 
torch::Tensor inputs
 
torch::Tensor input_vali
 
torch::Tensor F
 
int nrxx = 10
 
int nrxx_vali = 0
 
int ninpt = 6
 
int nnode = 10
 
int nlayer = 3
 
int nfc = 4
 

Constructor & Destructor Documentation

◆ NN_OFImpl()

NN_OFImpl::NN_OFImpl ( int  nrxx,
int  nrxx_vali,
int  ninpt,
int  nnode,
int  nlayer,
torch::Device  device 
)

◆ ~NN_OFImpl()

NN_OFImpl::~NN_OFImpl ( )
inline

Member Function Documentation

◆ forward()

torch::Tensor NN_OFImpl::forward ( torch::Tensor  inpt)

◆ set_data()

template<class T >
void NN_OFImpl::set_data ( T data,
const std::vector< std::string > &  descriptor_type,
const std::vector< int > &  kernel_index,
torch::Tensor &  nn_input 
)
inline

Member Data Documentation

◆ F

torch::Tensor NN_OFImpl::F

◆ fc1

torch::nn::Linear NN_OFImpl::fc1 {nullptr}

◆ fc2

torch::nn::Linear NN_OFImpl::fc2 {nullptr}

◆ fc3

torch::nn::Linear NN_OFImpl::fc3 {nullptr}

◆ fc4

torch::nn::Linear NN_OFImpl::fc4 {nullptr}

◆ input_vali

torch::Tensor NN_OFImpl::input_vali

◆ inputs

torch::Tensor NN_OFImpl::inputs

◆ nfc

int NN_OFImpl::nfc = 4

◆ ninpt

int NN_OFImpl::ninpt = 6

◆ nlayer

int NN_OFImpl::nlayer = 3

◆ nnode

int NN_OFImpl::nnode = 10

◆ nrxx

int NN_OFImpl::nrxx = 10

◆ nrxx_vali

int NN_OFImpl::nrxx_vali = 0

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