Absorption Structure Factor

[ronandrevon]

Task

• Provide a flag for the inclusion of absorptive structure factor.
• create a test file that compares the same problem with and without absorption.

Absorption calculation

The value of the flag may be used to determine the method used for the absoptrive structure factor $F'_{hkl}$ :

• 0 : no absorption
• 1 : 0.1 $F_{hkl}$
• 2 : Fitted parameters from integral calculations

[seb-0-0]

commit 9de2bf7 shows the norm of the difference of gammaj for numpy and cupy diagonalisation is of the order of 1e-16