atom_arrange Class Reference

#include <sltk_atom_arrange.h>

Collaboration diagram for atom_arrange:

Public Member Functions
	atom_arrange ()
	~atom_arrange ()

Static Public Member Functions
static void	search (const bool flag, std::ofstream &ofs, Grid_Driver &grid_d, const UnitCell &ucell, const double &search_radius_bohr, const int &test_atom_in, const bool test_only=false)
static double	set_sr_NL (std::ofstream &ofs_in, const std::string &output_level, const double &rcutmax_Phi, const double &rcutmax_Beta, const bool gamma_only_local)

Constructor & Destructor Documentation

atom_arrange()

atom_arrange::atom_arrange

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~atom_arrange()

atom_arrange::~atom_arrange

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Member Function Documentation

search()

void atom_arrange::search ( const bool  flag, std::ofstream &  ofs, Grid_Driver &  grid_d, const UnitCell &  ucell, const double &  search_radius_bohr, const int &  test_atom_in, const bool  test_only = false  )

static

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set_sr_NL()

double atom_arrange::set_sr_NL ( std::ofstream &  ofs_in, const std::string &  output_level, const double &  rcutmax_Phi, const double &  rcutmax_Beta, const bool  gamma_only_local  )

static

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The documentation for this class was generated from the following files:

• /home/runner/work/abacus-develop/abacus-develop/source/source_cell/module_neighbor/sltk_atom_arrange.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_cell/module_neighbor/sltk_atom_arrange.cpp