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Atomic-orbital Based Ab-initio Computation at UStc
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evolve_elec.h File Reference
#include "source_base/global_function.h"
#include "source_base/global_variable.h"
#include "source_base/module_container/ATen/core/tensor.h"
#include "source_base/module_container/ATen/core/tensor_map.h"
#include "source_base/module_device/device.h"
#include "source_base/module_device/memory_op.h"
#include "source_base/module_external/scalapack_connector.h"
#include "source_esolver/esolver_ks_lcao.h"
#include "source_esolver/esolver_ks_lcao_tddft.h"
#include "source_lcao/hamilt_lcao.h"
#include "source_psi/psi.h"
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Classes

class  module_rt::Evolve_elec< Device >
 

Namespaces

namespace  module_rt
 

Functions

void print_tensor_shape (const ct::Tensor &tensor, const std::string &name)
 
template<typename T >
void print_tensor_data_recursive (const T *data, const std::vector< int64_t > &shape, const std::vector< int64_t > &strides, int dim, std::vector< int64_t > &indices, const std::string &name)
 
template<typename T >
void print_tensor_data (const ct::Tensor &tensor, const std::string &name)
 
template<>
void print_tensor_data< std::complex< double > > (const ct::Tensor &tensor, const std::string &name)
 
template<typename T >
void module_rt::gatherPsi (const int myid, const int root_proc, T *psi_l, const Parallel_Orbitals &para_orb, ModuleESolver::Matrix_g< T > &psi_g)
 
template<typename T >
void module_rt::distributePsi (const Parallel_Orbitals &para_orb, T *psi_l, const ModuleESolver::Matrix_g< T > &psi_g)
 

Function Documentation

◆ print_tensor_data()

template<typename T >
void print_tensor_data ( const ct::Tensor tensor,
const std::string &  name 
)
inline
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◆ print_tensor_data< std::complex< double > >()

template<>
void print_tensor_data< std::complex< double > > ( const ct::Tensor tensor,
const std::string &  name 
)
inline
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◆ print_tensor_data_recursive()

template<typename T >
void print_tensor_data_recursive ( const T data,
const std::vector< int64_t > &  shape,
const std::vector< int64_t > &  strides,
int  dim,
std::vector< int64_t > &  indices,
const std::string &  name 
)
inline
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◆ print_tensor_shape()

void print_tensor_shape ( const ct::Tensor tensor,
const std::string &  name 
)
inline
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