Skip to content
/ TAFF Public

Pipeline Software for Topological Analysis of Fukui Function

License

Notifications You must be signed in to change notification settings

HumanOsv/TAFF

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

13 Commits
 
 
 
 
 
 
 
 

Repository files navigation

Topological Analysis of Fukui Function (TAFF)

The TAFF pipeline has been designed in order to “condense” the Fukui function according to it’s topological analysis. This function is defined as the electronic density response when modifying the number of electrons (N), providing information about the reactive sites

alt text

Compile and Execute

g++ Main.cpp menu.cpp -o TAFF

For more information please see Manual TAFF

About

Pipeline Software for Topological Analysis of Fukui Function

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published