PySpawn is a code for Ab Initio Multiple Spawning dynamics developped by Prof. Benjamin G. Levine. Some of our contributions to this code can be found in the original Git repository
WFOT: A tool to calculate wavefunction overlap between two excited states calculations
Coming soon!
Extended-QM8: a dataset for excited states calculations.
This folder contain the extended-QM8 database obtained in the framework of the publication:
"DELFI: A computer oracle for recommending density functionals for excited states calculations". For info and download click here
DELFI Web application
Here you can find DELFI's web application to run the functional predictor
SHARC/COBRAMM interface
Files needed to run the SHARC/COBRAMM interface to simulate nonadiabatic dynamics in complex environments using the two software. For info and download click here