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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include <pot_local.h>
Public Member Functions | |
| PotLocal (const ModuleBase::matrix *vloc_in, const ModuleBase::ComplexMatrix *sf_in, const ModulePW::PW_Basis *rho_basis_in, double &vl_of_0) | |
| void | cal_fixed_v (double *vl_pseudo) override |
Public Member Functions inherited from elecstate::PotBase | |
| PotBase () | |
| virtual | ~PotBase () |
| virtual void | cal_v_eff (const Charge *const chg, const UnitCell *const ucell, ModuleBase::matrix &v_eff) |
Private Attributes | |
| double * | vl_of_0_ = nullptr |
| save the value of vloc at G=0; this is a static member because there is only one vl(0) for all instances | |
| const ModuleBase::matrix * | vloc_ = nullptr |
| const ModuleBase::ComplexMatrix * | sf_ = nullptr |
| int | ntype_ = 0 |
Additional Inherited Members | |
Public Attributes inherited from elecstate::PotBase | |
| bool | fixed_mode = 0 |
| bool | dynamic_mode = 0 |
Protected Attributes inherited from elecstate::PotBase | |
| const ModulePW::PW_Basis * | rho_basis_ = nullptr |
| const ModulePW::PW_Basis * | rho_basis_smooth_ = nullptr |
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inline |
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overridevirtual |
save the V_local at G=0
Reimplemented from elecstate::PotBase.
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private |
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private |
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private |
save the value of vloc at G=0; this is a static member because there is only one vl(0) for all instances
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private |