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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 integrals_2el_J_mm_utils.h
\brief Utility functions related to multipole method, used in
construction of the Coulomb matrix J.
@author: Elias Rudberg <em>responsible</em>.
*/
#ifndef INTEGRALS_2EL_J_MM_UTILS_HEADER
#define INTEGRALS_2EL_J_MM_UTILS_HEADER
#include "integral_info.h"
#include "organize_distrs.h"
#include "organize_distrs_mm.h"
int
check_if_multipoles_can_be_used(const IntegralInfo & integralInfo,
ergo_real threshold,
const ergo_real* boxCenterCoords_1,
const ergo_real* boxCenterCoords_2,
ergo_real boxWidth,
const distr_org_struct & org_1,
const distr_org_mm_struct & org_mm_1,
const distr_org_struct & org_2,
const distr_org_mm_struct & org_mm_2);
int
create_list_of_multipoles_for_box(const IntegralInfo& integralInfo,
const distr_org_struct & org,
multipole_struct_small* result_multipoleList);
#endif
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