Index

A

ase_atoms() (in module crystals) asymmetric_cell() (crystals.Crystal method)

Atom (class in crystals) atomic_number (crystals.Element property) AtomicStructure (class in crystals)

B

bounded_reflections() (crystals.Lattice method)

C

centering (crystals.Crystal property) CenteringType (class in crystals) chemical_composition (crystals.AtomicStructure property)

chemical_formula (crystals.AtomicStructure property) coords_cartesian (crystals.Atom property) Crystal (class in crystals)

D

distance_cartesian() (in module crystals)

distance_fractional() (in module crystals)

E

ElectronicStructure (class in crystals)

Element (class in crystals) element_full (crystals.Element property)

F

frac_mesh() (crystals.Lattice static method) from_ase() (crystals.Atom class method) (crystals.Crystal class method) from_cif() (crystals.Crystal class method) from_cod() (crystals.Crystal class method)

from_database() (crystals.Crystal class method) from_mp() (crystals.Crystal class method) from_parameters() (crystals.Lattice class method) from_pdb() (crystals.Crystal class method) from_poscar() (crystals.Crystal class method) from_pwscf() (crystals.Crystal class method)

G

groupby() (crystals.Crystal method)

H

hall_number (crystals.Crystal property) hall_symbol (crystals.Crystal property)

Helix (class in crystals) hm_symbol (crystals.Crystal property)

I

ideal() (crystals.Crystal method) index_dirax() (in module crystals) indexed_by() (crystals.Crystal method) IndexingError (class in crystals)

international_full (crystals.Crystal property) international_number (crystals.Crystal property) international_symbol (crystals.Crystal property) is_element() (in module crystals) itersorted() (crystals.AtomicStructure method)

L

Lattice (class in crystals) lattice_parameters (crystals.Lattice property) lattice_system (crystals.Lattice property)

lattice_system() (in module crystals) lattice_vectors (crystals.Lattice property) LatticeSystem (class in crystals)

M

magnetic_moment_ground (crystals.Element property) mass (crystals.Element property)

maximum_electrons() (crystals.Orbital class method) mesh() (crystals.Lattice method) miller_indices() (crystals.Lattice method)

N

name (crystals.Element property)

O

Orbital (class in crystals)

P

periodicity (crystals.Lattice property)

pointgroup (crystals.Crystal property) primitive() (crystals.Crystal method)

R

reciprocal (crystals.Lattice property) reciprocal_symmetry_operations() (crystals.Crystal method)

reciprocal_vectors (crystals.Lattice property) Residue (class in crystals)

S

satisfying() (crystals.AtomicStructure method) scaled_lattice_vectors (crystals.Supercell property) scattering_vector() (crystals.Lattice method) SecondaryStructure (class in crystals.biological) Sheet (class in crystals)

Supercell (class in crystals) supercell() (crystals.Crystal method) symbol (crystals.Element property) symmetry() (crystals.Crystal method) symmetry_expansion() (in module crystals) symmetry_operations() (crystals.Crystal method)

T

to_ase() (crystals.Crystal method) to_cif() (crystals.Crystal method) to_poscar() (crystals.Crystal method)

to_xyz() (crystals.Crystal method) transform() (crystals.Atom method) (crystals.AtomicStructure method)

U

unitcell (crystals.Crystal property)

V

volume (crystals.Lattice property)

W

write_cif() (in module crystals.writers)

write_xyz() (in module crystals.writers)