setup_estate_pw.h

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#ifndef SETUP_ESTATE_PW_H
#define SETUP_ESTATE_PW_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_pw.h"
#include "source_pw/module_pwdft/vsep_pw.h"
 
class pseudopot_cell_vnl;
 
namespace elecstate
{
 
void 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);
 
void teardown_estate_pw(elecstate::ElecState*& pelec, VSep*& vsep_cell);
 
template <typename T, typename Device>
void setup_estate_pw_impl(
    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 teardown_estate_pw_impl(elecstate::ElecState*& pelec, VSep*& vsep_cell);
 
}
 
#endif