ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
Loading...
Searching...
No Matches
setup_pwrho.h
Go to the documentation of this file.
1#ifndef SETUP_PWRHO_H
2#define SETUP_PWRHO_H
3
4#include "source_cell/unitcell.h" // use UnitCell
5#include "source_pw/module_pwdft/structure_factor.h" // use Structure_Factor
6#include "source_basis/module_pw/pw_basis.h" // use PW_Basis
7#include "source_io/module_parameter/input_parameter.h" // use Input_para
8
9namespace pw
10{
11
12void setup_pwrho(
13 UnitCell& ucell, // unitcell
14 const bool double_grid, // for USPP
15 bool &pw_rho_flag, // flag for allocation of pw_rho
16 ModulePW::PW_Basis* &pw_rho, // pw for rhod
17 ModulePW::PW_Basis* &pw_rhod, // pw for rhod
18 ModulePW::PW_Basis_Big* &pw_big, // pw for rhod
19 const std::string &classname,
20 const Input_para& inp); // input parameters *
21
22
23void teardown_pwrho(bool &pw_rho_flag,
24 const bool double_grid,
25 ModulePW::PW_Basis* &pw_rho, // pw for rhod
26 ModulePW::PW_Basis* &pw_rhod); // pw for rhod
27
28}
29
30
31
32#endif
Definition pw_basis_big.h:16
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition pw_basis.h:56
Definition unitcell.h:17
Definition setup_pot.h:14
void teardown_pwrho(bool &pw_rho_flag, const bool double_grid, ModulePW::PW_Basis *&pw_rho, ModulePW::PW_Basis *&pw_rhod)
Definition setup_pwrho.cpp:121
void setup_pwrho(UnitCell &ucell, const bool double_grid, bool &pw_rho_flag, ModulePW::PW_Basis *&pw_rho, ModulePW::PW_Basis *&pw_rhod, ModulePW::PW_Basis_Big *&pw_big, const std::string &classname, const Input_para &inp)
Definition setup_pwrho.cpp:5
Definition input_parameter.h:13