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Atomic-orbital Based Ab-initio Computation at UStc
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source
source_estate
module_dm
init_dm.h
Go to the documentation of this file.
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#ifndef INIT_DM_H
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#define INIT_DM_H
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#include "
source_cell/unitcell.h
"
// use unitcell
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#include "
source_estate/elecstate.h
"
// use ElecState
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#include "
source_psi/psi.h
"
// use electronic wave functions
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#include "
source_estate/module_charge/charge.h
"
// use charge
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#include "
source_lcao/setup_dm.h
"
// define Setup_DM
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namespace
elecstate
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{
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template
<
typename
TK>
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void
init_dm
(
UnitCell
& ucell,
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ElecState* pelec,
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LCAO_domain::Setup_DM<TK>
&dmat,
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psi::Psi<TK>
*
psi
,
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Charge
&chr,
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const
int
iter,
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const
int
exx_two_level_step);
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}
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#endif
charge.h
Charge
Definition
charge.h:18
LCAO_domain::Setup_DM
Definition
setup_dm.h:14
UnitCell
Definition
unitcell.h:17
psi::Psi
Definition
psi.h:37
elecstate.h
elecstate
Definition
cal_dm.h:10
elecstate::init_dm
void init_dm(UnitCell &ucell, ElecState *pelec, LCAO_domain::Setup_DM< TK > &dmat, psi::Psi< TK > *psi, Charge &chr, const int iter, const int exx_two_level_step)
Definition
init_dm.cpp:7
psi
Definition
exx_lip.h:23
psi.h
setup_dm.h
unitcell.h
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