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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 SCF_statistics.h
@brief Class for keeping timings and other statistics related to
self-consistent field (SCF) procedure.
@author: Emanuel Rubensson <em>responsible</em>.
*/
#ifndef SCF_STATISTICS_HEADER
#define SCF_STATISTICS_HEADER
#include <map>
#include "utilities.h"
struct SCF_timer {
SCF_timer();
void stop();
double elapsedTimeCPU_sys;
double elapsedTimeCPU_usr;
double elapsedTimeWall;
private:
double startTimeCPU_sys;
double startTimeCPU_usr;
double startTimeWall;
bool stopped_already;
};
class SCF_statistics {
typedef std::map<std::string, SCF_timer> TimerMap;
typedef std::map<std::string, double> ValueMap;
public:
void start_timer(std::string identifier);
void stop_timer(std::string identifier);
void add_value(std::string identifier, double value);
void add_values( ValueMap & values_to_add);
void output_mfile(std::string name);
protected:
TimerMap timers;
ValueMap values;
private:
void output_value( std::ofstream & os, std::string id, double value);
};
#endif
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