File: grid_stream.h

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/* Ergo, version 3.8, a program for linear scaling electronic structure
 * calculations.
 * Copyright (C) 2019 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:
 * Ergo: An open-source program for linear-scaling electronic structure
 * calculations,
 * Elias Rudberg, Emanuel H. Rubensson, Pawel Salek, and Anastasia
 * Kruchinina,
 * SoftwareX 7, 107 (2018),
 * <http://dx.doi.org/10.1016/j.softx.2018.03.005>
 * 
 * For further information about Ergo, see <http://www.ergoscf.org>.
 */

/** @file grid_stream.h @brief Streaming grid generator. */

#if !defined(_GRID_STREAM_H_)
#define _GRID_STREAM_H_ 1

#include "sparse_matrix.h"
#include "grid_params.h"

class ErgoGridStream;

ErgoGridStream *grid_stream_new(const struct Dft::GridParams& ggs,
				const GridGenMolInfo& molInfo);

void grid_stream_set_sparse_pattern(ErgoGridStream *stream,
                                    Dft::SparsePattern *pattern);

unsigned grid_stream_generate(ErgoGridStream *stream, const char *fname,
			      int noOfThreads);

void grid_stream_free(ErgoGridStream *stream);

#endif /* _GRID_STREAM_H_ */