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Atomic-orbital Based Ab-initio Computation at UStc
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setup_estate_pw.h File Reference
#include "source_base/module_device/device.h"
#include "source_cell/unitcell.h"
#include "source_cell/klist.h"
#include "source_pw/module_pwdft/structure_factor.h"
#include "source_estate/elecstate.h"
#include "source_pw/module_pwdft/VL_in_pw.h"
#include "source_pw/module_pwdft/VSep_in_pw.h"
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Namespaces

namespace  elecstate
 

Functions

template<typename T , typename Device >
void elecstate::setup_estate_pw (UnitCell &ucell, K_Vectors &kv, Structure_Factor &sf, elecstate::ElecState *&pelec, Charge &chr, pseudopot_cell_vl &locpp, pseudopot_cell_vnl &ppcell, VSep *&vsep_cell, ModulePW::PW_Basis_K *pw_wfc, ModulePW::PW_Basis *pw_rho, ModulePW::PW_Basis *pw_rhod, ModulePW::PW_Basis_Big *pw_big, surchem &solvent, const Input_para &inp)
 
template<typename T , typename Device >
void elecstate::teardown_estate_pw (elecstate::ElecState *&pelec, VSep *&vsep_cell)