00001 /* Ergo, version 3.2, a program for linear scaling electronic structure 00002 * calculations. 00003 * Copyright (C) 2012 Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek. 00004 * 00005 * This program is free software: you can redistribute it and/or modify 00006 * it under the terms of the GNU General Public License as published by 00007 * the Free Software Foundation, either version 3 of the License, or 00008 * (at your option) any later version. 00009 * 00010 * This program is distributed in the hope that it will be useful, 00011 * but WITHOUT ANY WARRANTY; without even the implied warranty of 00012 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00013 * GNU General Public License for more details. 00014 * 00015 * You should have received a copy of the GNU General Public License 00016 * along with this program. If not, see <http://www.gnu.org/licenses/>. 00017 * 00018 * Primary academic reference: 00019 * KohnâSham Density Functional Theory Electronic Structure Calculations 00020 * with Linearly Scaling Computational Time and Memory Usage, 00021 * Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek, 00022 * J. Chem. Theory Comput. 7, 340 (2011), 00023 * <http://dx.doi.org/10.1021/ct100611z> 00024 * 00025 * For further information about Ergo, see <http://www.ergoscf.org>. 00026 */ 00027 00028 #if !defined(_LEBEDEV_LAIKOV_H_) 00029 #define _LEBEDEV_LAIKOV_H_ 1 00030 00037 #include "realtype.h" 00038 00039 typedef ergo_real real; 00040 00041 #if defined(__cplusplus) 00042 extern "C" { 00043 #endif 00044 00056 int ll_npoint(int lvalue); 00057 00058 00061 int ll_order(int npoint); 00062 00075 int ll_sphere(int N, real *X, real *Y, real *Z, real *W); 00076 00077 #if defined(__cplusplus) 00078 } 00079 #endif 00080 00081 #endif /* _LEBEDEV_LAIKOV_H_ */