About this project

The adcc project was initiated at Heidelberg University from the frustration of the difficulties encountered when starting ADC calculations from unusual SCF references (in this case from the molsturm code). In the initial phase of development adcc was heavily inspired by the adcman package by Michael Wormit et. al.. By the time of the first release in late 2019 the structure of adcc has been completely rewritten and polished and finally in late 2020 the code became fully open-source.

In its current form adcc features a strong focus on flexibility for both developing novel ADC methods and performing sophisticated analysis on top of obtained computational results. Standard workflows like plotting spectra or visualising obtained results are simple and often only take a single command, but still provide access to underlying low-level objects to make customisation possible. As a result the project is accessible to novices to the field, but still offers a low barrier to start developing more complex simulation procedures, where this might be needed. As numerous adcc-related publications prove this philosophy has already enabled key advances and successfully pushed the state of the art in computational spectroscopy methods. A more detailed overview of adcc and its features can be found in [HSF+20].

Citation

We kindly ask all users of adcc, who find the package useful for their research to cite the adcc paper [HSF+20] in their publications.

Contact us

You found a bug? Something is not working? You have a great idea about a possible feature for adcc? The primary place to discuss such issues about adcc is our issue page on github. Alternatively you can also reach us by mail (developers@adc-connect.org).