NtOptimizationTask.h File Reference

#include "Tasks/Task.h"
#include <Utils/GeometryOptimization/NtOptimizer.h>
#include <Utils/IO/ChemicalFileFormats/XyzStreamHandler.h>
#include <Utils/IO/Yaml.h>
#include <boost/exception/diagnostic_information.hpp>
#include <boost/filesystem.hpp>
#include <cstdio>
#include <fstream>
#include <iostream>

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Classes
class	Scine::Readuct::NtOptimizationTask

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.