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[ lgtm-img ] : https://img.shields.io/lgtm/grade/python/github/adc-connect/adcc?label=code%20quality
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[ lgtm-url ] : https://lgtm.com/projects/g/adc-connect/adcc/context:python
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- adcc (** ADC-connect** ) is a python-based framework for performing
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- the calculation of molecular spectra and electronically excited states
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- based upon the algebraic-diagrammatic construction (ADC) approach.
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+ adcc (** ADC-connect** ) is a Python-based framework for calculating molecular spectra and electronically excited states
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+ with the algebraic-diagrammatic construction (ADC) approach.
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Arbitrary host programs may be used to supply a
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self-consistent field (SCF) reference to start off the ADC calculation.
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- Currently adcc comes with ready-to-use interfaces to four programs,
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- namely pyscf, psi4, VeloxChem or molsturm. Adding other SCF codes or
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+ Currently adcc comes with ready-to-use interfaces to four programs: PySCF, Psi4, VeloxChem and molsturm.
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+ Adding other SCF codes or
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starting a calculation from
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statically computed data can be easily achieved.
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