spectragen4

Command line based calculation of XAS/RIXS spectra via Quanty and Crispy.

Dependencies

1. Numpy <https://numpy.org/>_ (tested with version 1.21.5)

2. Crispy <https://www.esrf.fr/computing/scientific/crispy/>_ --- one can opt out to use it from the source ([Go to Installation section](# Installation)).

Installation

1. Download Quanty The Quanty executable must be accessible.

2. Download Crispy

   2.1. Download from source

    To do
   

   2.2. Download from PIP

    To do
   

To do

• LICENSE file and copyright section
• Examples
• DOI and citation section
• Usage section
• Installation section