Coverage for local_installation/dynasor/units.py: 100%
8 statements
« prev ^ index » next coverage.py v7.3.2, created at 2024-09-27 15:43 +0000
« prev ^ index » next coverage.py v7.3.2, created at 2024-09-27 15:43 +0000
1"""
2Module containing convenient unit conversion factors, including
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``
11Here, for example, ``radians_per_fs_to_invcm`` can be used to convert an angular frequency in units
12of radians/fs to a frequency in 1/cm, as demonstrated by the code snippet below.
14.. highlight:: python
15.. code-block:: python
17 # converting the angular frequencies (omega) in a Sample object to frequencies in inverse cm
18 from dynasor.units import radians_per_fs_to_invcm
19 frequencies_invcm = sample.omega * radians_per_fs_to_invcm
21 # converting frequencies from inverse cm to meV
22 from dynasor.units import meV_to_invcm
23 frequencies_meV = frequencies_invcm / meV_to_invcm
25"""
26from math import pi
27from ase.units import _c, invcm
29# Frequencies
30meV_to_invcm = 1 / invcm / 1e3
31THz_to_invcm = 1e12 / _c / 1e2
32THz_to_meV = 1e13 * invcm / _c
34# Angular frequencies
35radians_per_fs_to_THz = 1000 / 2 / pi
36radians_per_fs_to_meV = radians_per_fs_to_THz * THz_to_meV
37radians_per_fs_to_invcm = radians_per_fs_to_THz * THz_to_invcm