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Atomic-orbital Based Ab-initio Computation at UStc
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pot_base.h
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1#ifndef POTBASE_H
2#define POTBASE_H
3
9
10namespace elecstate
11{
22{
23 public:
25 virtual ~PotBase(){}
26
27 virtual void cal_v_eff(const Charge*const chg, const UnitCell*const ucell, ModuleBase::matrix& v_eff){}
28
29 virtual void cal_fixed_v(double* vl_pseudo){}
30
31 bool fixed_mode = 0;
32 bool dynamic_mode = 0;
33
34 protected:
37};
38
39} // namespace elecstate
40
41#endif
Definition charge.h:20
Definition matrix.h:19
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition pw_basis.h:56
Definition unitcell.h:16
Definition pot_base.h:22
virtual void cal_fixed_v(double *vl_pseudo)
Definition pot_base.h:29
virtual ~PotBase()
Definition pot_base.h:25
const ModulePW::PW_Basis * rho_basis_
Definition pot_base.h:35
const ModulePW::PW_Basis * rho_basis_smooth_
Definition pot_base.h:36
bool dynamic_mode
Definition pot_base.h:32
bool fixed_mode
Definition pot_base.h:31
virtual void cal_v_eff(const Charge *const chg, const UnitCell *const ucell, ModuleBase::matrix &v_eff)
Definition pot_base.h:27
PotBase()
Definition pot_base.h:24
Definition cal_dm.h:10