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occ::crystal::Crystal Member List

This is the complete list of members for occ::crystal::Crystal, including all inherited members.

asymmetric_unit() constocc::crystal::Crystalinline
asymmetric_unit()occ::crystal::Crystalinline
asymmetric_unit_atom_surroundings(double radius) constocc::crystal::Crystal
atom_site_mapping_table() constocc::crystal::Crystal
atom_surroundings(int asym_idx=0, double radius=6.0) constocc::crystal::Crystal
compute_cell_shift(const Vec3 &to, const Vec3 &from, const SymmetryOperation &symop_from)occ::crystal::Crystalstatic
create_primitive_supercell(const Crystal &c, HKL hkl)occ::crystal::Crystalstatic
Crystal(const AsymmetricUnit &asymmetric_unit, const SpaceGroup &space_group, const UnitCell &unit_cell)occ::crystal::Crystal
dimer_symmetry_string(const occ::core::Dimer &dimer) constocc::crystal::Crystal
frac() constocc::crystal::Crystalinline
gamma_point_unit_cell_molecules() constocc::crystal::Crystalinline
labels() constocc::crystal::Crystalinline
molecule_site_mapping_table() constocc::crystal::Crystal
num_sites() constocc::crystal::Crystalinline
set_connectivity_criteria(bool guess=true)occ::crystal::Crystal
set_gamma_point_unit_cell_molecules(bool set)occ::crystal::Crystalinline
slab(const HKL &lower, const HKL &upper) constocc::crystal::Crystal
space_group() constocc::crystal::Crystalinline
symmetry_operations() constocc::crystal::Crystalinline
symmetry_unique_dimers(double distance_tolerance) constocc::crystal::Crystal
symmetry_unique_molecules() constocc::crystal::Crystal
to_cartesian(const Mat3N &p) constocc::crystal::Crystalinline
to_fractional(const Mat3N &p) constocc::crystal::Crystalinline
unit_cell() constocc::crystal::Crystalinline
unit_cell_atoms() constocc::crystal::Crystal
unit_cell_connectivity() constocc::crystal::Crystal
unit_cell_dimers(double distance_tolerance) constocc::crystal::Crystal
unit_cell_molecules() constocc::crystal::Crystal
volume() constocc::crystal::Crystal