swMATH ID: 33443
Software Authors: Maximilian Scheurer, Peter Reinholdt, Erik Rosendahl Kjellgren, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted
Description: CPPE: C++ and Python Library for Polarizable Embedding. CPPE is an open-source, light-weight C++ and Python library for Polarizable Embedding (PE)1,2 calculations. It provides an easy-to-use API to implement PE for ground-state self-consistent field calculations and post-SCF methods. A convenient Python interface is also available. CPPE enables PE calculations in the following programs: PySCF; Psi4; Q-Chem; VeloxChem
Homepage: https://github.com/maxscheurer/cppe
Source Code:  https://github.com/maxscheurer/cppe
Related Software: adcc; VeloxChem; molsturm; OpenFermion; PyFLOSIC; OpenQEMIST; SciPy; NumPy; PyBerny; libdftd3; QSoME; TBLIS; PyMBE; PyQMC; SCFInitialGuess; QISKit; Python; PySCF
Cited in: 0 Publications