crystal_symmetry.cpp File Reference

Contains implementation of sirius::Crystal_symmetry class. More...

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Namespaces
module	sirius
	Namespace of the SIRIUS library.

Functions
static std::pair< std::vector< int >, std::vector< r3::vector< int > > >	sirius::find_sym_atom (int num_atoms__, sddk::mdarray< double, 2 > const &positions__, r3::matrix< int > const &R__, r3::vector< double > const &t__, double tolerance__, bool inverse__=false)
static space_group_symmetry_descriptor	sirius::get_spg_sym_op (int isym_spg__, SpglibDataset *spg_dataset__, r3::matrix< double > const &lattice_vectors__, int num_atoms__, sddk::mdarray< double, 2 > const &positions__, double tolerance__)
static space_group_symmetry_descriptor	sirius::get_identity_spg_sym_op (int num_atoms__)

Detailed Description

Contains implementation of sirius::Crystal_symmetry class.

Definition in file crystal_symmetry.cpp.