Ecosyste.ms: Packages
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conda-forge.org : adcc
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.
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purl: pkg:conda/adcc
Keywords: adc, algebraic-diagrammatic-construction, computational-chemistry, python, quantum-chemistry, spectroscopy
License: CNRI-Python-GPL-Compatible
Latest release: almost 2 years ago
First release: about 2 years ago
Dependent repositories: 5
Stars: 30 on GitHub
Forks: 18 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 8 days ago