Welcome to DragonBall!

Dragonball is a Python Suite created to guide the user in the simulation of quasi-classical trajectory (QCT) spectra. You can find a description of the method capabilites here and here.

The suite contains three different scripts, both in CLI and GUI version:

• Flying Nimbus (aka Flying \(\nu_{i}\)mbus) to compute the spectra

• Bulma to generate the input and parse the outputs of the supported ab initio codes (Gaussian, Orca and QChem)

• Vegeta to generate the initial conditions for the quasi-classical trajectory

You can find the individual documentation here:

• Flying Nimbus

• Bulma

• Vegeta

You can find the guides on how to use Dragonball with the supported ab initio codes here:

• Gaussian

• Orca

• QChem

You can find the full documentation here

Flowchart

Have fun!

G.M. & G.B.