ergo
simple_sparse_mat.h
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1 /* Ergo, version 3.4, a program for linear scaling electronic structure
2  * calculations.
3  * Copyright (C) 2014 Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek.
4  *
5  * This program is free software: you can redistribute it and/or modify
6  * it under the terms of the GNU General Public License as published by
7  * the Free Software Foundation, either version 3 of the License, or
8  * (at your option) any later version.
9  *
10  * This program is distributed in the hope that it will be useful,
11  * but WITHOUT ANY WARRANTY; without even the implied warranty of
12  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13  * GNU General Public License for more details.
14  *
15  * You should have received a copy of the GNU General Public License
16  * along with this program. If not, see <http://www.gnu.org/licenses/>.
17  *
18  * Primary academic reference:
19  * Kohn−Sham Density Functional Theory Electronic Structure Calculations
20  * with Linearly Scaling Computational Time and Memory Usage,
21  * Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek,
22  * J. Chem. Theory Comput. 7, 340 (2011),
23  * <http://dx.doi.org/10.1021/ct100611z>
24  *
25  * For further information about Ergo, see <http://www.ergoscf.org>.
26  */
27 #ifndef SIMPLE_SPARSE_MAT_HEADER
28 #define SIMPLE_SPARSE_MAT_HEADER
29 
30 #include "realtype.h"
31 
32 typedef struct {
33  int i;
34  int j;
38 
39 int spmat_multiply_matrices(const i_j_val_struct* A, int nnzA,
40  const i_j_val_struct* B, int nnzB,
41  i_j_val_struct* C, int M, int N);
42 
43 int spmat_sort_elements(i_j_val_struct* A, int nnzA);
44 
45 #endif
#define A
int spmat_sort_elements(i_j_val_struct *A, int nnzA)
Definition: simple_sparse_mat.cc:50
int j
Definition: simple_sparse_mat.h:34
double ergo_real
Definition: realtype.h:53
int i
Definition: simple_sparse_mat.h:33
ergo_real value
Definition: simple_sparse_mat.h:36
Definition: simple_sparse_mat.h:32
int spmat_multiply_matrices(const i_j_val_struct *A, int nnzA, const i_j_val_struct *B, int nnzB, i_j_val_struct *C, int M, int N)
Definition: simple_sparse_mat.cc:71
int same_i_count
Definition: simple_sparse_mat.h:35
#define B