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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 00034 #ifndef MATRIX_TYPEDEFS_HEADER 00035 #define MATRIX_TYPEDEFS_HEADER 00036 00037 00038 #include "realtype.h" 00039 00040 #include "Matrix.h" 00041 #include "Vector.h" 00042 #include "MatrixSymmetric.h" 00043 #include "MatrixTriangular.h" 00044 #include "MatrixGeneral.h" 00045 #include "VectorGeneral.h" 00046 #include "gblas.h" 00047 00048 00049 // Matrix typedefs for different levels 00050 typedef mat::Matrix<ergo_real, ergo_real> Mat_1; 00051 typedef mat::Matrix<ergo_real, Mat_1 > Mat_2; 00052 typedef mat::Matrix<ergo_real, Mat_2 > Mat_3; 00053 typedef mat::Matrix<ergo_real, Mat_3 > Mat_4; 00054 typedef mat::Matrix<ergo_real, Mat_4 > Mat_5; 00055 00056 // Vector typedefs for different levels 00057 typedef mat::Vector<ergo_real, ergo_real> Vec_1; 00058 typedef mat::Vector<ergo_real, Vec_1 > Vec_2; 00059 typedef mat::Vector<ergo_real, Vec_2 > Vec_3; 00060 typedef mat::Vector<ergo_real, Vec_3 > Vec_4; 00061 typedef mat::Vector<ergo_real, Vec_4 > Vec_5; 00062 00063 // perm and matri are the types actually used. 00064 // This is the point where we choose how many levels to use. 00065 #define MATLEVEL 5 00066 typedef Mat_5 Matri; 00067 typedef Vec_5 Vectorrr; 00068 00069 // The typedefs for symmMatrix, triangMatrix, normalMatrix 00070 // are the same regardless of how many levels are used. 00071 typedef mat::MatrixSymmetric<ergo_real, Matri> symmMatrix; 00072 typedef mat::MatrixTriangular<ergo_real, Matri> triangMatrix; 00073 typedef mat::MatrixGeneral<ergo_real, Matri> normalMatrix; 00074 typedef mat::VectorGeneral<ergo_real, Vectorrr> generalVector; 00075 00076 typedef mat::Interval<ergo_real> intervalType; 00077 00078 #endif