Index

C

Crystal (class in xtalmet.crystal)

D

d_amd() (in module xtalmet.distance) d_comp() (in module xtalmet.distance) d_magpie() (in module xtalmet.distance)

d_pdd() (in module xtalmet.distance) d_smat() (in module xtalmet.distance) d_wyckoff() (in module xtalmet.distance)

E

Evaluator (class in xtalmet.evaluator)

F

from_Structure() (xtalmet.crystal.Crystal class method)

G

get_AMD() (xtalmet.crystal.Crystal method) get_ase_atoms() (xtalmet.crystal.Crystal method) get_composition_pymatgen() (xtalmet.crystal.Crystal method)

get_composition_tuple() (xtalmet.crystal.Crystal method) get_magpie() (xtalmet.crystal.Crystal method) get_PDD() (xtalmet.crystal.Crystal method) get_wyckoff() (xtalmet.crystal.Crystal method)

M

module xtalmet xtalmet.crystal xtalmet.distance xtalmet.evaluator xtalmet.screen

N

novelty() (xtalmet.evaluator.Evaluator method)

S

screen_ehull() (in module xtalmet.screen)

screen_smact() (in module xtalmet.screen)

U

uniqueness() (xtalmet.evaluator.Evaluator method)

X

xtalmet module xtalmet.crystal module xtalmet.distance module

xtalmet.evaluator module xtalmet.screen module