TADJob.h

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/*
** This file is part of eOn.
**
** SPDX-License-Identifier: BSD-3-Clause
**
** Copyright (c) 2010--present, eOn Development Team
** All rights reserved.
**
** Repo:
** https://github.com/TheochemUI/eOn
*/
#pragma once
#include "ReplicaDynamicsJob.h"
 
namespace eonc {
 
class TADJob : public ReplicaDynamicsJob {
public:
  using ReplicaDynamicsJob::ReplicaDynamicsJob;
  ~TADJob() = default;
 
private:
  int dynamics() override;
  void initExtra() override;
  void reportResults() override;
 
  std::shared_ptr<Matter> crossing;
  double barrier{0.0};
  std::vector<double> timeBuffer;
};
 
} // namespace eonc
 
using eonc::TADJob;