Skip to content
/ cif4xas Public

convert CIF data to inputs for XAS calculations with Feff, FDMNES, etc

License

Notifications You must be signed in to change notification settings

xraypy/cif4xas

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

11 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

CIF4XAS

Web application for converting CIF files into input files for X-ray absorption spectroscopy calculations with Feff and FDMNES.

install

Download and unpack this code and install with

> pip install .

status

Run the script "run_local.py" with

  > python run_local.py

will launch a local web server with the app running at http://127.0.0.1:11564/

About

convert CIF data to inputs for XAS calculations with Feff, FDMNES, etc

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published