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

1""" 

2Module containing convenient unit conversion factors, including 

3 

4* ``radians_per_fs_to_THz`` 

5* ``radians_per_fs_to_meV`` 

6* ``radians_per_fs_to_invcm`` 

7* ``THz_to_meV`` 

8* ``THz_to_invcm`` 

9* ``meV_to_invcm`` 

10* ``Dalton_to_dmu`` dmu is Dynasor Mass Unit 

11 

12 

13Here, for example, ``radians_per_fs_to_invcm`` can be used to convert an angular frequency in units 

14of radians/fs to a frequency in 1/cm, as demonstrated by the code snippet below. 

15 

16.. highlight:: python 

17.. code-block:: python 

18 

19 # converting the angular frequencies (omega) in a Sample object to frequencies in inverse cm 

20 from dynasor.units import radians_per_fs_to_invcm 

21 frequencies_invcm = sample.omega * radians_per_fs_to_invcm 

22 

23 # converting frequencies from inverse cm to meV 

24 from dynasor.units import meV_to_invcm 

25 frequencies_meV = frequencies_invcm / meV_to_invcm 

26 

27""" 

28from math import pi 

29from ase.units import _c, invcm, fs 

30 

31# Frequencies 

32meV_to_invcm = 1 / invcm / 1e3 

33THz_to_invcm = 1e12 / _c / 1e2 

34THz_to_meV = 1e13 * invcm / _c 

35 

36# Angular frequencies 

37radians_per_fs_to_THz = 1000 / 2 / pi 

38radians_per_fs_to_meV = radians_per_fs_to_THz * THz_to_meV 

39radians_per_fs_to_invcm = radians_per_fs_to_THz * THz_to_invcm 

40 

41# Mass 

42Dalton_to_dmu = 1/fs**2