SinglePointTask.h File Reference

#include "Tasks/Task.h"
#include <Core/Interfaces/Calculator.h>
#include <Utils/CalculatorBasics.h>
#include <Utils/IO/FormattedIOUtils.h>
#include <Utils/IO/Yaml.h>
#include <Utils/Settings.h>
#include <Utils/UniversalSettings/SettingsNames.h>
#include "boost/exception/diagnostic_information.hpp"
#include <boost/filesystem.hpp>
#include <algorithm>
#include <cstdio>
#include <fstream>
#include <iomanip>
#include <iostream>
#include <numeric>
#include <random>
#include <vector>

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Classes
class	Scine::Readuct::SinglePointTask

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.