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Atomic-orbital Based Ab-initio Computation at UStc
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Exx_LRI.hpp File Reference
#include "source_io/module_parameter/parameter.h"
#include "Exx_LRI.h"
#include "RI_2D_Comm.h"
#include "RI_Util.h"
#include "source_lcao/module_ri/exx_abfs-construct_orbs.h"
#include "source_lcao/module_ri/exx_abfs-io.h"
#include "source_lcao/module_ri/conv_coulomb_pot_k.h"
#include "source_base/tool_title.h"
#include "source_base/timer.h"
#include "source_lcao/module_ri/serialization_cereal.h"
#include "source_lcao/module_ri/Mix_DMk_2D.h"
#include "source_basis/module_ao/parallel_orbitals.h"
#include <RI/distribute/Distribute_Equally.h>
#include <RI/global/Map_Operator-3.h>
#include <fstream>
#include <stdexcept>
#include <string>
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Namespaces

namespace  ExxLriDetail
 

Typedefs

using ExxLriDetail::CoulombParam = std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > >
 

Functions

void ExxLriDetail::trim_malloc_cache ()
 
double ExxLriDetail::default_spencer_rcut (const UnitCell &ucell, const K_Vectors &kv)
 
CoulombParam ExxLriDetail::build_center2_cut_coulomb_param (const CoulombParam &coulomb_param, const UnitCell &ucell, const K_Vectors &kv, bool *synthesized_rcut=nullptr)