Description:

adcc 0.15.17

adcc: Seamlessly connect your program to ADC



Documentation





Build Status



Installation




adcc (ADC-connect) is a Python-based framework for calculating molecular spectra and electronically excited states
with the algebraic-diagrammatic construction (ADC) approach.
Arbitrary host programs may be used to supply a
self-consistent field (SCF) reference to start off the ADC calculation.
Currently adcc comes with ready-to-use interfaces to four programs: PySCF, Psi4, VeloxChem and molsturm.
Adding other SCF codes or
starting a calculation from
statically computed data can be easily achieved.
Try adcc in your browser at https://try.adc-connect.org
or take a look at the adcc documentation
for more details and installation instructions.
Citation



Paper:





Code:




If you use adcc, please cite
our paper in WIREs Computational Molecular Science.
A preprint can be found
on HAL
or on arXiv.

License

For personal and professional use. You cannot resell or redistribute these repositories in their original state.

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