adcc: Seamlessly connect your host program to ADC
Project description
adcc is a python-based framework for performing quantum-chemical simulations based upon the algebraic-diagrammatic construction (ADC) approach.
As of now PP-ADC and CVS-PP-ADC methods are available to compute excited states on top of an MP2 ground state. The underlying Hartree-Fock reference is not computed inside adcc, much rather external packages should be used for this purpose. Interfaces to seamlessly interact with pyscf, psi4, VeloxChem or molsturm are available, but other SCF codes or even statically computed data can be easily used as well.
Notice, that only the adcc python and C++ source code are released under the terms of the GNU General Public License v3 (GPLv3) license. This license does not apply to the libadccore.so or accordingly named dylib file contained inside the directory ‘/adcc/lib/’ of the distributed tarball. For further details see the file LICENSE_adccore.
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