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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
init_dm.h File Reference
#include "source_cell/unitcell.h"
#include "source_estate/elecstate.h"
#include "source_psi/psi.h"
#include "source_estate/module_charge/charge.h"
#include "source_lcao/setup_dm.h"
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Namespaces

namespace  elecstate
 

Functions

template<typename TK >
void elecstate::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)