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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
get_pchg_pw.h File Reference
#include "cube_io.h"
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Namespaces

namespace  ModuleIO
 This class has two functions: restart psi from the previous calculation, and write psi to the disk.
 

Functions

template<typename Device >
void ModuleIO::get_pchg_pw (const std::vector< int > &out_pchg, const int nbands, const int nspin, const int nxyz, const int chr_ngmc, UnitCell *ucell, const psi::Psi< std::complex< double >, Device > *kspw_psi, const ModulePW::PW_Basis *pw_rhod, const ModulePW::PW_Basis_K *pw_wfc, const Device *ctx, const Parallel_Grid &pgrid, const std::string &global_out_dir, const bool if_separate_k, const K_Vectors &kv, const int kpar, const int my_pool, const Charge *chr)