adcc: Seamlessly connect your program to ADC

copied from cf-staging / adcc

Installers

conda install

  • linux-64  v0.15.14
  • osx-64  v0.15.14
To install this package with conda run:
conda install -c conda-forge adcc

Description

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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