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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
LCAO_init_basis.cpp File Reference
#include "LCAO_domain.h"
#include "source_io/module_parameter/parameter.h"
Include dependency graph for LCAO_init_basis.cpp:

Namespaces

namespace  LCAO_domain
 

Functions

void LCAO_domain::init_basis_lcao (Parallel_Orbitals &pv, const double &onsite_radius, const double &lcao_ecut, const double &lcao_dk, const double &lcao_dr, const double &lcao_rmax, UnitCell &ucell, TwoCenterBundle &two_center_bundle, LCAO_Orbitals &orb)