matrix_typedefs.h

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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  * Kohn−Sham 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

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