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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include <pot_xc_fdm.h>
Public Member Functions | |
| PotXC_FDM (const ModulePW::PW_Basis *rho_basis_in, const Charge *const chg_0_in, const UnitCell *const ucell) | |
| void | cal_v_eff (const Charge *const chg_1, const UnitCell *const ucell, ModuleBase::matrix &v_eff) override |
Public Member Functions inherited from elecstate::PotBase | |
| PotBase () | |
| virtual | ~PotBase () |
| virtual void | cal_fixed_v (double *vl_pseudo) |
| virtual double | get_energy () const |
Public Attributes | |
| const Charge *const | chg_0 = nullptr |
| ModuleBase::matrix | v_xc_0 |
Public Attributes inherited from elecstate::PotBase | |
| bool | fixed_mode = 0 |
| bool | dynamic_mode = 0 |
Additional Inherited Members | |
Protected Attributes inherited from elecstate::PotBase | |
| const ModulePW::PW_Basis * | rho_basis_ = nullptr |
| const ModulePW::PW_Basis * | rho_basis_smooth_ = nullptr |
| elecstate::PotXC_FDM::PotXC_FDM | ( | const ModulePW::PW_Basis * | rho_basis_in, |
| const Charge *const | chg_0_in, | ||
| const UnitCell *const | ucell | ||
| ) |
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overridevirtual |
| const Charge* const elecstate::PotXC_FDM::chg_0 = nullptr |
| ModuleBase::matrix elecstate::PotXC_FDM::v_xc_0 |