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Atomic-orbital Based Ab-initio Computation at UStc
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Functions
deepks_orbital.cpp File Reference
#include "source_io/module_parameter/parameter.h"
#include "deepks_orbital.h"
#include "source_base/parallel_reduce.h"
#include "source_base/timer.h"
Include dependency graph for deepks_orbital.cpp:

Functions

template void DeePKS_domain::cal_o_delta< double, ModuleBase::matrix > (const std::vector< ModuleBase::matrix > &dm_hl, const std::vector< std::vector< double > > &h_delta, ModuleBase::matrix &o_delta, const Parallel_Orbitals &pv, const int nks, const int nspin)
 

Function Documentation

◆ DeePKS_domain::cal_o_delta< double, ModuleBase::matrix >()

template void DeePKS_domain::cal_o_delta< double, ModuleBase::matrix > ( const std::vector< ModuleBase::matrix > &  dm_hl,
const std::vector< std::vector< double > > &  h_delta,
ModuleBase::matrix o_delta,
const Parallel_Orbitals pv,
const int  nks,
const int  nspin 
)