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/* Ergo, version 3.5, a program for linear scaling electronic structure
* calculations.
* Copyright (C) 2016 Elias Rudberg, Emanuel H. Rubensson, Pawel Salek,
* and Anastasia Kruchinina.
*
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*
* Primary academic reference:
* KohnâSham Density Functional Theory Electronic Structure Calculations
* with Linearly Scaling Computational Time and Memory Usage,
* Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek,
* J. Chem. Theory Comput. 7, 340 (2011),
* <http://dx.doi.org/10.1021/ct100611z>
*
* For further information about Ergo, see <http://www.ergoscf.org>.
*/
#ifndef CSR_MATRIX_HEADER
#define CSR_MATRIX_HEADER
#include "realtype.h"
typedef struct
{
int noOfElementsInRow;
int firstElementIndex;
} csr_matrix_row_struct;
struct csr_matrix_struct
{
int n;
int nnz;
int symmetryFlag;
csr_matrix_row_struct* rowList;
ergo_real* elementList;
int* columnIndexList;
};
int ergo_CSR_create(csr_matrix_struct* csr,
int symmetryFlag,
int n,
int nnz,
int* rowind,
int* colind);
int ergo_CSR_destroy(csr_matrix_struct* csr);
int ergo_CSR_copy(csr_matrix_struct* csrDest, const csr_matrix_struct* csrSource);
int ergo_CSR_add_equal_structure(csr_matrix_struct* csrDest, const csr_matrix_struct* csrSource);
int ergo_CSR_add_to_element(csr_matrix_struct* csr,
int row,
int col,
ergo_real value);
ergo_real ergo_CSR_get_element(const csr_matrix_struct* csr,
int row,
int col);
ergo_real ergo_CSR_get_max_abs_element(const csr_matrix_struct* csr);
int ergo_CSR_get_nvalues(const csr_matrix_struct* csr);
int ergo_CSR_get_values(const csr_matrix_struct* csr,
int* rowind,
int* colind,
ergo_real* values,
int nvalues);
int ergo_CSR_get_nvalues_singlerow(const csr_matrix_struct* csr,
int row);
int ergo_CSR_get_values_singlerow(const csr_matrix_struct* csr,
int row,
int* colind,
ergo_real* values,
int nvalues);
#endif
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