ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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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 | |
void | ModuleIO::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) |