Package diffpy :: Package srrietveld :: Package addon :: Module debyefitting

Module debyefitting

Classes
	DebyeFitting Class to perform Debye fitting

Functions

adps(m, thetaD, T)
Calculates atomic displacement factors within the Debye model

source code

debye(T, m, thetaD)
A wrapped version of 'adps' that can handle an array of T-values.

source code

Variables
	__id__ = `'$Id: debyefitting.py 6718 2011-08-23 21:33:20Z yshan...`
	__package__ = `'diffpy.srrietveld.addon'`

Imports: numpy

Function Details

Calculates atomic displacement factors within the Debye model

<u^2> = (3h^2/4 pi^2 m kB thetaD)(phi(thetaD/T)/(thetaD/T) + 1/4)

arguments: m -- float -- mass of the ion in atomic mass units (e.g., C = 12) thetaD -- float -- Debye Temperature T -- float -- temperature.

return: Uiso -- float -- the thermal factor from the Debye recipe at temp T

Variables Details

Value:

'$Id: debyefitting.py 6718 2011-08-23 21:33:20Z yshang $'