ModuleSymmetry Namespace Reference

Namespaces
namespace	Symm_Other

Classes
class	Irreducible_Sector
class	Symmetry
class	Symmetry_Basic
class	Symmetry_rotation

Typedefs
using	Tap = std::pair< int, int >
using	TC = std::array< int, 3 >
using	TapR = std::pair< Tap, TC >
using	TCdouble = Abfs::Vector3_Order< double >

Functions
void	output_return_lattice (const std::vector< std::vector< TCdouble > > &return_lattice)
std::vector< int >	get_isymbvk_to_isym_map (const std::vector< ModuleBase::Matrix3 > &bvkgmat, const ModuleSymmetry::Symmetry &symm)
int	gcd (const int a, const int b)
int	m2im (int m)
template<typename T >
std::string	vec3_fmt (const T &x, const T &y, const T &z)
template<typename T >
std::string	vec3_fmt (const ModuleBase::Vector3< T > &v)
void	print_symrot_info_k (const ModuleSymmetry::Symmetry_rotation &symrot, const K_Vectors &kv, const UnitCell &ucell)
void	print_symrot_info_R (const Symmetry_rotation &symrot, const Symmetry &symm, const int lmax_ao, const std::vector< TC > &Rs)
std::string	mat3_fmt (const ModuleBase::Matrix3 &m)
template<typename Tdata >
void	print_tensor (const RI::Tensor< Tdata > &t, const std::string &name, const double &threshold=0.0)
template<typename Tdata >
void	print_tensor3 (const RI::Tensor< Tdata > &t, const std::string &name, const double &threshold=0.0)
template<typename Tdata >
void	set_block (const int starti, const int startj, const RI::Tensor< std::complex< double > > &block, RI::Tensor< Tdata > &obj_tensor)
template<typename TR >
void	print_global (const TR *tlocal, const int nr, const int nc, const std::string name)
template<typename TR >
void	print_local (const Parallel_Orbitals &pv, const TR *tlocal, const std::string name)
template<typename TR >
void	print_atompair_local (const Parallel_Orbitals &pv, const int iat1, const int iat2, const TR *tlocal, const std::string name)
void	set_block (const int starti, const int startj, const int nr, const ModuleBase::ComplexMatrix &block, double *obj)
void	set_block (const int starti, const int startj, const int nr, const ModuleBase::ComplexMatrix &block, std::complex< double > *obj)

Variables
bool	test_brav = 0

Typedef Documentation

Tap

typedef std::pair< int, int > ModuleSymmetry::Tap

TapR

typedef std::pair< Tap, TC > ModuleSymmetry::TapR

TC

typedef std::array< int, 3 > ModuleSymmetry::TC

TCdouble

typedef Abfs::Vector3_Order< double > ModuleSymmetry::TCdouble

Function Documentation

gcd()

int ModuleSymmetry::gcd ( const int  a, const int  b  )

inline

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get_isymbvk_to_isym_map()

std::vector< int > ModuleSymmetry::get_isymbvk_to_isym_map ( const std::vector< ModuleBase::Matrix3 > &  bvkgmat, const ModuleSymmetry::Symmetry &  symm  )

inline

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m2im()

int ModuleSymmetry::m2im ( int  m )

inline

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mat3_fmt()

std::string ModuleSymmetry::mat3_fmt

(

const ModuleBase::Matrix3 &

m

)

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output_return_lattice()

void ModuleSymmetry::output_return_lattice ( const std::vector< std::vector< TCdouble > > &  return_lattice )

inline

print_atompair_local()

template<typename TR >

void ModuleSymmetry::print_atompair_local ( const Parallel_Orbitals &  pv, const int  iat1, const int  iat2, const TR *  tlocal, const std::string  name  )

inline

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print_global()

template<typename TR >

void ModuleSymmetry::print_global ( const TR *  tlocal, const int  nr, const int  nc, const std::string  name  )

inline

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print_local()

template<typename TR >

void ModuleSymmetry::print_local ( const Parallel_Orbitals &  pv, const TR *  tlocal, const std::string  name  )

inline

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print_symrot_info_k()

void ModuleSymmetry::print_symrot_info_k	(	const ModuleSymmetry::Symmetry_rotation &	symrot,
		const K_Vectors &	kv,
		const UnitCell &	ucell
	)

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print_symrot_info_R()

void ModuleSymmetry::print_symrot_info_R	(	const Symmetry_rotation &	symrot,
		const Symmetry &	symm,
		const int	lmax_ao,
		const std::vector< TC > &	Rs
	)

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print_tensor()

template<typename Tdata >

void ModuleSymmetry::print_tensor ( const RI::Tensor< Tdata > &  t, const std::string &  name, const double &  threshold = 0.0  )

inline

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print_tensor3()

template<typename Tdata >

void ModuleSymmetry::print_tensor3 ( const RI::Tensor< Tdata > &  t, const std::string &  name, const double &  threshold = 0.0  )

inline

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set_block() [1/3]

void ModuleSymmetry::set_block ( const int  starti, const int  startj, const int  nr, const ModuleBase::ComplexMatrix &  block, double *  obj  )

inline

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set_block() [2/3]

void ModuleSymmetry::set_block ( const int  starti, const int  startj, const int  nr, const ModuleBase::ComplexMatrix &  block, std::complex< double > *  obj  )

inline

set_block() [3/3]

template<typename Tdata >

void ModuleSymmetry::set_block ( const int  starti, const int  startj, const RI::Tensor< std::complex< double > > &  block, RI::Tensor< Tdata > &  obj_tensor  )

inline

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vec3_fmt() [1/2]

template<typename T >

std::string ModuleSymmetry::vec3_fmt

(

const ModuleBase::Vector3< T > &

v

)

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vec3_fmt() [2/2]

template<typename T >

std::string ModuleSymmetry::vec3_fmt	(	const T &	x,
		const T &	y,
		const T &	z
	)

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Variable Documentation

test_brav

bool ModuleSymmetry::test_brav = 0

extern