+15.30000000000000E+000 +1.025423000000000E-002 +3.400000000000000E+000 # 1. Lennard-Jones (LJ) epsilon (second row) and sigma (third row) parameters # taken from: # # T. X. Nguyen, S. K. Bhatia and D. Nicholson, # "Prediction of High-Pressure Adsorption Equilibrium of Supercritical Gases # Using Density Functional Theory", Langmuir, 21(7):3187-3197, 2005. # # 2. The cutoff radius given in the first row is taken to 4.5*sigma. # # # CDDL HEADER START # # The contents of this file are subject to the terms of the Common Development # and Distribution License Version 1.0 (the "License"). # # You can obtain a copy of the license at # http://www.opensource.org/licenses/CDDL-1.0. See the License for the # specific language governing permissions and limitations under the License. # # When distributing Covered Code, include this CDDL HEADER in each file and # include the License file in a prominent location with the name LICENSE.CDDL. # If applicable, add the following below this CDDL HEADER, with the fields # enclosed by brackets "[]" replaced with your own identifying information: # # Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved. # # CDDL HEADER END # # # Copyright (c) 2013, Regents of the University of Minnesota. # All rights reserved. # # Contributors: # Ellad B. Tadmor #