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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
setup_pot.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_hamilt/hamilt.h"
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Namespaces

namespace  pw
 

Functions

template<typename T , typename Device >
void pw::setup_pot (const int istep, UnitCell &ucell, const K_Vectors &kv, Structure_Factor &sf, elecstate::ElecState *pelec, const Parallel_Grid &para_grid, const Charge &chr, pseudopot_cell_vl &locpp, pseudopot_cell_vnl &ppcell, VSep *vsep_cell, psi::Psi< T, Device > *kspw_psi, hamilt::Hamilt< T, Device > *p_hamilt, ModulePW::PW_Basis_K *pw_wfc, const ModulePW::PW_Basis *pw_rhod, const Input_para &inp)