Scine::Readuct
6.0.0
This is the SCINE module ReaDuct.
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#include "Tasks/Task.h"
#include "Utils/Geometry/GeometryUtilities.h"
#include "Utils/Geometry/InternalCoordinates.h"
#include <Utils/GeometricDerivatives/HessianUtilities.h>
#include <Utils/GeometricDerivatives/NormalModeAnalysis.h>
#include <Utils/GeometryOptimization/GeometryOptimization.h>
#include <Utils/GeometryOptimization/GeometryOptimizer.h>
#include <Utils/GeometryOptimization/QmmmTransitionStateOptimizer.h>
#include <Utils/IO/ChemicalFileFormats/XyzStreamHandler.h>
#include <Utils/Optimizer/GradientBased/Dimer.h>
#include <Utils/Optimizer/HessianBased/Bofill.h>
#include <Utils/Optimizer/HessianBased/EigenvectorFollowing.h>
#include <boost/exception/diagnostic_information.hpp>
#include <boost/filesystem.hpp>
#include <cstdio>
#include <fstream>
#include <iostream>
#include <vector>
Go to the source code of this file.
Classes | |
class | Scine::Readuct::TsOptimizationTask |