adcc: Seamlessly connect your host program to ADC
adcc: Seamlessly connect your program to ADC
adcc (ADC-connect) is a python-based framework for performing the calculation of molecular spectra and electronically excited states based upon 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, namely pyscf, psi4, VeloxChem or molsturm. Adding other SCF codes or starting a calculation from statically computed data can be easily achieved.
If you use adcc, please cite our paper in WIREs Computational Molecular Science. A preprint can be found on HAL or on arXiv.
The adcc source code contained in this repository is released
under the GNU General Public License v3 (GPLv3).
This license does, however, not apply to the binary
adccore.so file (on Linux) or
adccore.dylib file (on macOS)
distributed inside the folder
/adcc/lib/ of the
adcc release tarball.
For its licensing terms, see LICENSE_adccore.
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