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Atomic-orbital Based Ab-initio Computation at UStc
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source
source_pw
module_pwdft
dftu_pw.h
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#ifndef DFTU_PW_H
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#define DFTU_PW_H
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#include "
source_cell/unitcell.h
"
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#include "
source_base/matrix.h
"
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struct
Input_para
;
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class
Plus_U
;
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namespace
pw
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{
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void
iter_init_dftu_pw
(
const
int
iter,
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const
int
istep,
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Plus_U
&
dftu
,
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const
void
*
psi
,
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const
ModuleBase::matrix
& wg,
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const
UnitCell
& ucell,
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const
Input_para
& inp);
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}
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#endif
ModuleBase::matrix
Definition
matrix.h:18
Plus_U
Definition
dftu.h:19
UnitCell
Definition
unitcell.h:15
matrix.h
psi
Definition
exx_lip.h:23
pw
Definition
deltaspin_pw.cpp:7
pw::iter_init_dftu_pw
void iter_init_dftu_pw(const int iter, const int istep, Plus_U &dftu, const void *psi, const ModuleBase::matrix &wg, const UnitCell &ucell, const Input_para &inp)
Definition
dftu_pw.cpp:8
Input_para
Definition
input_parameter.h:12
dftu
Plus_U dftu
Definition
test_dftu.cpp:14
unitcell.h
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