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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
deepks_orbital.h File Reference
#include "source_base/complexmatrix.h"
#include "source_base/intarray.h"
#include "source_base/matrix.h"
#include "source_base/timer.h"
#include "source_basis/module_ao/parallel_orbitals.h"
#include "source_estate/module_dm/density_matrix.h"
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Namespaces

namespace  DeePKS_domain
 

Functions

template<typename TK , typename TH >
void DeePKS_domain::cal_o_delta (const std::vector< TH > &dm_hl, const std::vector< std::vector< TK > > &h_delta, ModuleBase::matrix &o_delta, const Parallel_Orbitals &pv, const int nks, const int nspin)