.. : PyBEST: Pythonic Black-box Electronic Structure Tool : Copyright (C) 2016-- The PyBEST Development Team : : This file is part of PyBEST. : : PyBEST is free software; you can redistribute it and/or : modify it under the terms of the GNU General Public License : as published by the Free Software Foundation; either version 3 : of the License, or (at your option) any later version. : : PyBEST is distributed in the hope that it will be useful, : but WITHOUT ANY WARRANTY; without even the implied warranty of : MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the : GNU General Public License for more details. : : You should have received a copy of the GNU General Public License : along with this program; if not, see : : -- Acronyms ######## The following acronyms are often used in the source code and the documentation. These acronyms will often occur in lower case due to coding conventions. When a class represents just one of these terms, longer names may be used for the sake of clarity. Unit conversion constants are not abbreviated. * AP1roG -- Antisymmetric Product of 1-reference orbital Geminal * CC -- Coupled Cluster * DM -- Density Matrix * EOM -- Equation of Motion * RHF -- Restricted Hartree Fock * KIN -- Kinetic Energy * LCC -- Linearized Coupled Cluster * LF -- Linear Algebra Factory, i.e. class that bundles a set of related linear algebra routines * MP2 -- Moller-Plesset perturbation theory of second order * NA -- Nuclear Attraction * OLP -- Overlap * pCCD -- pair Coupled Cluster Doubles * RDM -- Reduced Density Matrix * UHF -- Unrestricted Hartree Fock