Software

Group software :

FC-DFT: Yang-Laboratory/FC-DFT: FC-DFT for open quantum systems

NepoIP: Yang-Laboratory/NepoIP: An open-source neural network for performing accurate ML/MM MD simulation with electrostatic embedding.

LOSC: Yang-Laboratory/losc: Library for local orbital scaling correction (LOSC).

Hao Hu   
A MD protocol recommended by Hao Hu.docx

MFIELD command for SIGMA.docx

QM command for SIGMA.docx

Erin Johnson and
Julia Contreras-Garcia  
You can find all the updated information about NCI and NCIPLOT at the NCI-website:
http://www.lct.jussieu.fr/pagesperso/contrera/nciplot.html

Degao Peng

Python code for Wick’s Theorem contraction: click here