adcc
adcc: Seamlessly connect your program to ADC
adcc: Seamlessly connect your program to ADC
To install this package, run one of the following:
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.
Summary
adcc: Seamlessly connect your program to ADC
Information Last Updated
Mar 25, 2025 at 16:23
License
GPL-3.0
Total Downloads
12.0K
Platforms
GitHub Repository
https://github.com/adc-connect/adccDocumentation
https://adc-connect.org