Units

Ramannoodle uses the following units:

Quantity	Units
Wavenumbers	cm-1
Intensities	Unitless
Fractional coordinates	Unitless
Cartesian coordinates	Å
Polarizability1	Unitless
Temperature	K
Wavelength	nm
Time	fs

¹ Dielectric tensor is used.

By default, Ramannoodle works with positions, displacements, and directions in fractional coordinates. Some parameters are expressed in Cartesian coordinates; these parameters always have the prefix cart_ appended:

some_function(..., positions, ...) # positions is in fractional coordinates
some_other_function(..., cart_positions, ...) # cart_positions is in Cartesian coordinates