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_dipole (const UnitCell &ucell, const double *rho_save, const ModulePW::PW_Basis *rhopw, const int &is, const int &istep, const std::string &fn, const int &precision=11) |
double | ModuleIO::prepare (const UnitCell &cell, int &dir) |