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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
LCAO_allocate.cpp File Reference
#include "source_base/timer.h"
#include "source_lcao/LCAO_domain.h"
#include "source_lcao/module_deepks/LCAO_deepks.h"
#include "source_pw/module_pwdft/global.h"
#include "source_io/module_parameter/parameter.h"
Include dependency graph for LCAO_allocate.cpp:

Namespaces

namespace  LCAO_domain
 

Functions

template<typename T >
void LCAO_domain::DeePKS_init (const UnitCell &ucell, Parallel_Orbitals &pv, const int &nks, const LCAO_Orbitals &orb, LCAO_Deepks< T > &ld, std::ofstream &ofs)
 
template void LCAO_domain::DeePKS_init< double > (const UnitCell &ucell, Parallel_Orbitals &pv, const int &nks, const LCAO_Orbitals &orb, LCAO_Deepks< double > &ld, std::ofstream &ofs)
 
template void LCAO_domain::DeePKS_init< std::complex< double > > (const UnitCell &ucell, Parallel_Orbitals &pv, const int &nks, const LCAO_Orbitals &orb, LCAO_Deepks< std::complex< double > > &ld, std::ofstream &ofs)