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Atomic-orbital Based Ab-initio Computation at UStc
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init_dm.h
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1#ifndef INIT_DM_H
2#define INIT_DM_H
3
4#include "source_cell/unitcell.h" // use unitcell
5#include "source_estate/elecstate.h"// use ElecState
6#include "source_psi/psi.h" // use electronic wave functions
7#include "source_estate/module_charge/charge.h" // use charge
8#include "source_lcao/setup_dm.h" // define Setup_DM
9
10namespace elecstate
11{
12
13template <typename TK>
14void init_dm(UnitCell& ucell,
15 ElecState* pelec,
18 Charge &chr,
19 const int iter,
20 const int exx_two_level_step);
21
22}
23
24#endif
Definition charge.h:18
Definition setup_dm.h:14
Definition unitcell.h:17
Definition psi.h:37
Definition cal_dm.h:10
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
Definition exx_lip.h:23