00001 /* Ergo, version 3.7, a program for linear scaling electronic structure 00002 * calculations. 00003 * Copyright (C) 2018 Elias Rudberg, Emanuel H. Rubensson, Pawel Salek, 00004 * and Anastasia Kruchinina. 00005 * 00006 * This program is free software: you can redistribute it and/or modify 00007 * it under the terms of the GNU General Public License as published by 00008 * the Free Software Foundation, either version 3 of the License, or 00009 * (at your option) any later version. 00010 * 00011 * This program is distributed in the hope that it will be useful, 00012 * but WITHOUT ANY WARRANTY; without even the implied warranty of 00013 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00014 * GNU General Public License for more details. 00015 * 00016 * You should have received a copy of the GNU General Public License 00017 * along with this program. If not, see <http://www.gnu.org/licenses/>. 00018 * 00019 * Primary academic reference: 00020 * Ergo: An open-source program for linear-scaling electronic structure 00021 * calculations, 00022 * Elias Rudberg, Emanuel H. Rubensson, Pawel Salek, and Anastasia 00023 * Kruchinina, 00024 * SoftwareX 7, 107 (2018), 00025 * <http://dx.doi.org/10.1016/j.softx.2018.03.005> 00026 * 00027 * For further information about Ergo, see <http://www.ergoscf.org>. 00028 */ 00029 00030 #if !defined(_LEBEDEV_LAIKOV_H_) 00031 #define _LEBEDEV_LAIKOV_H_ 1 00032 00039 #include "realtype.h" 00040 00041 typedef ergo_real real; 00042 00043 #if defined(__cplusplus) 00044 extern "C" { 00045 #endif 00046 00058 int ll_npoint(int lvalue); 00059 00060 00063 int ll_order(int npoint); 00064 00077 int ll_sphere(int N, real *X, real *Y, real *Z, real *W); 00078 00079 #if defined(__cplusplus) 00080 } 00081 #endif 00082 00083 #endif /* _LEBEDEV_LAIKOV_H_ */