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Atomic-orbital Based Ab-initio Computation at UStc
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hamilt_lcaopw.h
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1#ifndef HAMILTLIP_H
2#define HAMILTLIP_H
3
5#ifdef __EXX
7#endif
8
9namespace hamilt
10{
11
12 template <typename T>
13 class HamiltLIP : public HamiltPW<T, base_device::DEVICE_CPU>
14 {
15 public:
17 ModulePW::PW_Basis_K* wfc_basis,
18 K_Vectors* p_kv,
20 const UnitCell* ucell)
21 : HamiltPW<T, base_device::DEVICE_CPU>(pot_in, wfc_basis, p_kv, nlpp,ucell){};
22#ifdef __EXX
24 ModulePW::PW_Basis_K* wfc_basis,
25 K_Vectors* p_kv,
27 const UnitCell* ucell,
28 Exx_Lip<T>& exx_lip_in)
29 : HamiltPW<T, base_device::DEVICE_CPU>(pot_in, wfc_basis, p_kv, nlpp,ucell), exx_lip(exx_lip_in){};
30 Exx_Lip<T>& exx_lip;
31#endif
32 };
33
34} // namespace hamilt
35
36#endif
Definition exx_lip.h:30
Definition klist.h:13
Special pw_basis class. It includes different k-points.
Definition pw_basis_k.h:57
Definition unitcell.h:16
Definition potential_new.h:48
Definition hamilt_lcaopw.h:14
HamiltLIP(elecstate::Potential *pot_in, ModulePW::PW_Basis_K *wfc_basis, K_Vectors *p_kv, pseudopot_cell_vnl *nlpp, const UnitCell *ucell)
Definition hamilt_lcaopw.h:16
Definition hamilt_pw.h:18
const UnitCell *const ucell
Definition hamilt_pw.h:45
Definition VNL_in_pw.h:21
#define T
Definition exp.cpp:237
Definition device.cpp:21
Definition hamilt.h:12