CASM
AClustersApproachtoStatisticalMechanics
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CASM::BasicStructure< CoordType > Member List

This is the complete list of members for CASM::BasicStructure< CoordType >, including all inherited members.

add_vacuum(BasicStructure &new_surface_struc, double vacuum_thickness) const CASM::BasicStructure< CoordType >
add_vacuum_shift(BasicStructure &new_surface_struc, double vacuum_thickness, Eigen::Vector3d shift, COORD_TYPE mode) const CASM::BasicStructure< CoordType >
add_vacuum_shift(BasicStructure &new_surface_struc, double vacuum_thickness, Coordinate shift) const CASM::BasicStructure< CoordType >
BasicStructure(const Lattice &init_lat)CASM::BasicStructure< CoordType >inline
BasicStructure()CASM::BasicStructure< CoordType >inline
BasicStructure(const fs::path &filepath)CASM::BasicStructure< CoordType >
BasicStructure(const BasicStructure &RHS)CASM::BasicStructure< CoordType >
basisCASM::BasicStructure< CoordType >
copy_attributes_from(const BasicStructure &RHS)CASM::BasicStructure< CoordType >
create_superstruc(const Lattice &scel_lat, double map_tol=TOL) const CASM::BasicStructure< CoordType >
fg_converge(double small_tol, double large_tol, double increment)CASM::BasicStructure< CoordType >
fg_converge(SymGroup &factor_group, double small_tol, double large_tol, double increment)CASM::BasicStructure< CoordType >
fill_supercell(const BasicStructure &prim, double map_tol=TOL)CASM::BasicStructure< CoordType >
find(const CoordType2 &test_site, double tol=TOL) const CASM::BasicStructure< CoordType >
find(const CoordType2 &test_site, const Coordinate &shift, double tol) const CASM::BasicStructure< CoordType >
from_json(const jsonParser &json)CASM::BasicStructure< CoordType >
generate_basis_permutation_representation(const MasterSymGroup &factor_group, bool verbose) const CASM::BasicStructure< CoordType >
generate_factor_group(SymGroup &factor_group, double map_tol) const CASM::BasicStructure< CoordType >
generate_factor_group_slow(SymGroup &factor_group, double map_tol) const CASM::BasicStructure< CoordType >
generate_flowertrees(const SiteOrbitree &in_tree, Array< SiteOrbitree > &out_trees)CASM::BasicStructure< CoordType >
generate_flowertrees_safe(const SiteOrbitree &in_tree, Array< SiteOrbitree > &out_trees)CASM::BasicStructure< CoordType >
get_lattice() const CASM::BasicStructure< CoordType >inline
get_site(const UnitCellCoord &ucc) const CASM::BasicStructure< CoordType >
get_unit_cell_coord(const CoordType2 &test_site, double tol=TOL) const CASM::BasicStructure< CoordType >
is_primitive(double prim_tol=TOL) const CASM::BasicStructure< CoordType >
is_primitive(BasicStructure &new_prim, double prim_tol=TOL) const CASM::BasicStructure< CoordType >
lattice() const CASM::BasicStructure< CoordType >inline
m_latticeCASM::BasicStructure< CoordType >protected
main_print(std::ostream &stream, COORD_TYPE mode, bool version5, int option) const CASM::BasicStructure< CoordType >private
map_superstruc_to_prim(BasicStructure &prim, const SymGroup &point_group)CASM::BasicStructure< CoordType >
max_possible_vacancies() const CASM::BasicStructure< CoordType >
merge_sites(double maxdist)CASM::BasicStructure< CoordType >
operator+=(const Coordinate &shift)CASM::BasicStructure< CoordType >
operator-=(const Coordinate &shift)CASM::BasicStructure< CoordType >
operator=(const BasicStructure &RHS)CASM::BasicStructure< CoordType >virtual
print_cif(std::ostream &stream) const CASM::BasicStructure< CoordType >
print_xyz(std::ostream &stream) const CASM::BasicStructure< CoordType >
read(std::istream &stream)CASM::BasicStructure< CoordType >virtual
reset()CASM::BasicStructure< CoordType >virtual
SD_flagCASM::BasicStructure< CoordType >protected
set_basis(Array< CoordType > basis_in)CASM::BasicStructure< CoordType >
set_lattice(const Lattice &lattice, COORD_TYPE mode)CASM::BasicStructure< CoordType >
set_site_internals()CASM::BasicStructure< CoordType >
symmetrize(const SymGroup &relaxed_factors)CASM::BasicStructure< CoordType >
symmetrize(const double &tolerance)CASM::BasicStructure< CoordType >
titleCASM::BasicStructure< CoordType >
to_json(jsonParser &json) const CASM::BasicStructure< CoordType >
update()CASM::BasicStructure< CoordType >
within()CASM::BasicStructure< CoordType >
~BasicStructure()CASM::BasicStructure< CoordType >inlinevirtual