.. : TAMkin is a post-processing toolkit for normal mode analysis, thermochemistry : and reaction kinetics. : Copyright (C) 2008-2012 Toon Verstraelen , An Ghysels : and Matthias Vandichel : Center for Molecular Modeling (CMM), Ghent University, Ghent, Belgium; all : rights reserved unless otherwise stated. : : This file is part of TAMkin. : : TAMkin 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. : : In addition to the regulations of the GNU General Public License, : publications and communications based in parts on this program or on : parts of this program are required to cite the following article: : : "TAMkin: A Versatile Package for Vibrational Analysis and Chemical Kinetics", : An Ghysels, Toon Verstraelen, Karen Hemelsoet, Michel Waroquier and Veronique : Van Speybroeck, Journal of Chemical Information and Modeling, 2010, 50, : 1736-1750W : http://dx.doi.org/10.1021/ci100099g : : TAMkin 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 : : -- Auxiliary modules ================= Timer module ------------ .. automodule:: tamkin.timer :members: Standard representation of QM or MM data ---------------------------------------- **Inheritance diagram** .. inheritance-diagram:: tamkin.data .. automodule:: tamkin.data :members: :show-inheritance: Analysis of molecular geometries -------------------------------- .. automodule:: tamkin.geom :members: