Hide keyboard shortcuts

Hot-keys on this page

r m x p   toggle line displays

j k   next/prev highlighted chunk

0   (zero) top of page

1   (one) first highlighted chunk

1

2

3

4

5

6

7

8

9

10

11

12

13

14

15

16

17

18

19

20

21

22

23

24

25

26

27

28

29

30

31

32

33

34

35

36

37

38

39

40

41

42

43

# -*- coding: utf-8 -*- 

""" 

Main module of the icet package. 

""" 

 

from __future__ import print_function, division 

 

from .core.cluster_space import ClusterSpace, get_singlet_info, view_singlets 

from .core.cluster_expansion import ClusterExpansion 

from .core.orbit_list import OrbitList 

from .core.structure import Structure 

from .core.structure_container import StructureContainer 

from .fitting import (Optimizer, 

EnsembleOptimizer, 

CrossValidationEstimator) 

 

__project__ = 'icet' 

__description__ = 'A Pythonic approach to cluster expansions' 

__authors__ = ['Mattias Ångqvist', 

'William A. Muñoz', 

'J. Magnus Rahm', 

'Erik Fransson', 

'Céline Durniak', 

'Piotr Rozyczko', 

'Thomas Holm Rod', 

'Paul Erhart'] 

__copyright__ = '2019' 

__license__ = 'Mozilla Public License 2.0 (MPL 2.0)' 

__version__ = '0.5' 

__all__ = ['ClusterSpace', 

'ClusterExpansion', 

'Structure', 

'OrbitList', 

'StructureContainer', 

'Optimizer', 

'EnsembleOptimizer', 

'CrossValidationEstimator', 

'get_singlet_info', 

'view_singlets'] 

__maintainer__ = 'The icet developers team' 

__email__ = 'icet@materialsmodeling.org' 

__status__ = 'Beta' 

__url__ = 'http://icet.materialsmodeling.org/'