Orca-Q is a desktop application that provides functionality for running ORCA jobs that would otherwise require the use of the command line. Orca-Q is a program to manage and control ORCA inputs.
In the use of computational chemistry, the chemist is always in constant use of calculation tools to simulate chemical properties. ORCA is an ab initio quantum chemistry program package that contains modern electronic structure methods including density functional theory, many-body perturbation, coupled cluster, multireference methods, and semi-empirical quantum chemistry methods. Its main field of application is larger molecules, transition metal complexes, and their spectroscopic properties. ORCA is developed in the research group of Frank Neese. The free version is available only for academic use at academic institutions [1,2].
Software developed in python 3 and tkinter. Open Source. Available for Windows 7, 8 and 10 version 32 or 64 bits