Coverage for local_installation/dynasor/__init__.py: 100%

1# -*- coding: utf-8 -*- 

2 

3""" 

4dynasor module. 

5""" 

6 

7from .correlation_functions import (compute_dynamic_structure_factors, 

8 compute_spectral_energy_density, 

9 compute_static_structure_factors) 

10from .qpoints import (get_spherical_qpoints, 

11 get_supercell_qpoints_along_path) 

12from .sample import read_sample_from_npz 

13from .trajectory import Trajectory 

14 

15__project__ = 'dynasor' 

16__description__ = 'Dynamical structure factors and correlation' 

17' functions from molecular dynamics trajectories' 

18__copyright__ = '2023' 

19__license__ = 'MIT' 

20__credits__ = ['The dynasor developers team'] 

21__version__ = '2.0' 

22__maintainer__ = 'The dynasor developers team' 

23__maintainer_email__ = 'dynasor@materialsmodeling.org' 

24__status__ = 'Development Status :: 5 - Production/Stable' 

25__url__ = 'http://dynasor.materialsmodeling.org/' 

26__all__ = [ 

27 'compute_dynamic_structure_factors', 

28 'compute_spectral_energy_density', 

29 'compute_static_structure_factors', 

30 'get_spherical_qpoints', 

31 'get_supercell_qpoints_along_path', 

32 'read_sample_from_npz', 

33 'Trajectory', 

34]