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Atomic-orbital Based Ab-initio Computation at UStc
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source
source_pw
module_pwdft
hamilt_lcaopw.h
Go to the documentation of this file.
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#ifndef HAMILTLIP_H
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#define HAMILTLIP_H
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#include "
source_pw/module_pwdft/hamilt_pw.h
"
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#ifdef __EXX
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#include "
source_lcao/module_ri/exx_lip.h
"
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#endif
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namespace
hamilt
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{
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template
<
typename
T>
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class
HamiltLIP
:
public
HamiltPW
<T, base_device::DEVICE_CPU>
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{
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public
:
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HamiltLIP
(
elecstate::Potential
* pot_in,
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ModulePW::PW_Basis_K
* wfc_basis,
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K_Vectors
* p_kv,
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pseudopot_cell_vnl
* nlpp,
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const
UnitCell
*
ucell
)
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:
HamiltPW
<
T
,
base_device
::DEVICE_CPU>(pot_in, wfc_basis, p_kv, nlpp,
ucell
){};
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#ifdef __EXX
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HamiltLIP
(
elecstate::Potential
* pot_in,
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ModulePW::PW_Basis_K
* wfc_basis,
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K_Vectors
* p_kv,
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pseudopot_cell_vnl
* nlpp,
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const
UnitCell
*
ucell
,
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Exx_Lip<T>
& exx_lip_in)
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:
HamiltPW
<
T
,
base_device
::DEVICE_CPU>(pot_in, wfc_basis, p_kv, nlpp,
ucell
), exx_lip(exx_lip_in){};
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Exx_Lip<T>
& exx_lip;
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#endif
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};
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}
// namespace hamilt
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#endif
Exx_Lip
Definition
exx_lip.h:30
K_Vectors
Definition
klist.h:13
ModulePW::PW_Basis_K
Special pw_basis class. It includes different k-points.
Definition
pw_basis_k.h:57
UnitCell
Definition
unitcell.h:16
elecstate::Potential
Definition
potential_new.h:48
hamilt::HamiltLIP
Definition
hamilt_lcaopw.h:14
hamilt::HamiltLIP::HamiltLIP
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
hamilt::HamiltPW
Definition
hamilt_pw.h:18
hamilt::HamiltPW< T, base_device::DEVICE_CPU >::ucell
const UnitCell *const ucell
Definition
hamilt_pw.h:45
pseudopot_cell_vnl
Definition
VNL_in_pw.h:21
T
#define T
Definition
exp.cpp:237
exx_lip.h
hamilt_pw.h
base_device
Definition
device.cpp:21
hamilt
Definition
hamilt.h:12
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