Looking for the latest version? Download NANCY_EX-2.0.zip (3.0 MB)
Name Modified Size Downloads / Week Status
Totals: 2 Items   3.0 MB 2
NANCY_EX-2.0.zip 2014-10-30 3.0 MB 11 weekly downloads
Readme_Nancy_EX.txt 2014-10-08 698 Bytes 11 weekly downloads
Nancy_EX is a postprocessing tool to analyze the density and character of electronic excited states. It is developed at the TMS laboratory of the Universite de Lorraine - Nancy and is written by X. Assfeld, T. Etienne, A. Monari, T. Very. Current version is the 2.0 every use of the previous ones is strongly discouraged. The major revision (Nancy_EX-2.0) includes many new features: - NTOs and Attachement and Detachement Density Matrix - Calculation of the Phi_S topological index - TD-DFT functionals diagnostics - Bug fixing When using Nancy-EX-2.0 code please cite the followings: Etienne et al. J. Chem. Theory Comp. (2014) 10 3896 Etienne et al. J. Chem. Theory Comp. (2014) 10 3906
Source: Readme_Nancy_EX.txt, updated 2014-10-08