!The 3D-RISM-KH software found here is copyright (c) 2010 by Andriy Kovalenko, !Tyler Luchko and David A. Case. ! !This program 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. ! !This program 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 in the !../../LICENSE file. If not, see . ! !Users of the 3D-RISM capability found here are requested to acknowledge !use of the software in reports and publications. Such acknowledgement !should include the following citations: ! !1) A. Kovalenko and F. Hirata. J. Chem. Phys., 110:10095-10112 (1999); !ibid. 112:10391-10417 (2000). ! !2) A. Kovalenko, in: Molecular Theory of Solvation, edited by !F. Hirata (Kluwer Academic Publishers, Dordrecht, 2003), pp.169-275. ! !3) T. Luchko, S. Gusarov, D.R. Roe, C. Simmerling, D.A. Case, J. Tuszynski, !and A. Kovalenko, J. Chem. Theory Comput., 6:607-624 (2010). #define TIME_RISM 153 #define TIME_ULJUV 154 #define TIME_UCOULU 155 #define TIME_ASYMP 156 #define TIME_RXRISM 157 #define TIME_EXCHEM 158 #define TIME_FF 159 #define TIME_R1RISM 160 #define TIME_RISMFFT 161 #define TIME_MDIIS 162 #define TIME_SAVECRDINTERP 163 #define TIME_CRDINTERP 164 #define TIME_CRDCUTLIST 165 #define TIME_REORIENT 166 #define TIME_RESIZE 167 #define TIME_PMV 168 #define TIME_CUVPROP 169 #define TIME_MDIIS_LAPACK 191 #define TIME_MDIIS_DATA 192