HessianTask.h File Reference

#include "Tasks/Task.h"
#include <Core/Interfaces/Calculator.h>
#include <Utils/CalculatorBasics/Results.h>
#include <Utils/DataStructures/PartialHessian.h>
#include <Utils/GeometricDerivatives/NormalModeAnalysis.h>
#include <Utils/GeometricDerivatives/NormalModesContainer.h>
#include <Utils/IO/FormattedString.h>
#include <Utils/IO/MolecularTrajectoryIO.h>
#include <Utils/Properties/Thermochemistry/ThermochemistryCalculator.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::HessianTask

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.