ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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rhog_io.h
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1#ifndef RHOG_IO_H
2#define RHOG_IO_H
3
4#include <string>
5#include <cassert>
43namespace ModuleIO
44{
45
46bool read_rhog(const std::string& filename, const ModulePW::PW_Basis* pw_rhod, std::complex<double>** rhog);
47
48bool write_rhog(const std::string& fchg,
49 const bool gamma_only, // from INPUT
50 const ModulePW::PW_Basis* pw_rho, // pw_rho in runtime
51 const int nspin, // GlobalV
52 const ModuleBase::Matrix3& GT, // from UnitCell, useful for calculating the miller
53 std::complex<double>** rhog,
54 const int ipool,
55 const int irank,
56 const int nrank);
57
58} // namespace ModuleIO
59
60#endif
3x3 matrix and related mathamatical operations
Definition matrix3.h:19
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition pw_basis.h:56
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9
bool read_rhog(const std::string &filename, const ModulePW::PW_Basis *pw_rhod, std::complex< double > **rhog)
Definition rhog_io.cpp:12
bool write_rhog(const std::string &fchg, const bool gamma_only, const ModulePW::PW_Basis *pw_rho, const int nspin, const ModuleBase::Matrix3 &GT, std::complex< double > **rhog, const int ipool, const int irank, const int nrank)
Definition rhog_io.cpp:201