ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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write_elf.h
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1#ifndef WRITE_ELF_H
2#define WRITE_ELF_H
3#include <string>
7
8namespace ModuleIO
9{
10void write_elf(
11#ifdef __MPI
12 const int& bz,
13 const int& nbz,
14#endif
15 const std::string& out_dir,
16 const int& istep,
17 const int& nspin,
18 const double* const* rho,
19 const double* const* tau,
20 ModulePW::PW_Basis* rho_basis,
21 const Parallel_Grid& pgrid,
22 const UnitCell* ucell_,
23 const int& precision);
24}
25
26#endif
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition pw_basis.h:56
Definition parallel_grid.h:8
Definition unitcell.h:16
#define __MPI
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9
void write_elf(const int &bz, const int &nbz, const std::string &out_dir, const int &istep, const int &nspin, const double *const *rho, const double *const *tau, ModulePW::PW_Basis *rho_basis, const Parallel_Grid &pgrid, const UnitCell *ucell_, const int &precision)
Definition write_elf.cpp:7
base device SOURCES math_dngvd_test cpp endif() if(ENABLE_GOOGLEBENCH) AddTest(TARGET PERF_MODULE_HSOLVER_KERNELS LIBS parameter $
Definition CMakeLists.txt:10