staticregion.h

Go to the documentation of this file.

/*
 *            Copyright 2009-2020 The VOTCA Development Team
 *                       (http://www.votca.org)
 *
 *      Licensed under the Apache License, Version 2.0 (the "License")
 *
 * You may not use this file except in compliance with the License.
 * You may obtain a copy of the License at
 *
 *              http://www.apache.org/licenses/LICENSE-2.0
 *
 * Unless required by applicable law or agreed to in writing, software
 * distributed under the License is distributed on an "AS IS" BASIS,
 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 * See the License for the specific language governing permissions and
 * limitations under the License.
 *
 */
 
#pragma once
#ifndef VOTCA_XTP_STATICREGION_H
#define VOTCA_XTP_STATICREGION_H
 
// Local VOTCA includes
#include "mmregion.h"
 
namespace votca {
namespace xtp {
class QMRegion;
class PolarRegion;
class StaticRegion;
class EwaldRegion;
 
class StaticRegion : public MMRegion<StaticSegment> {
 public:
  StaticRegion(Index id, Logger& log) : MMRegion<StaticSegment>(id, log) {}
 
  std::string identify() const override { return "staticregion"; }
 
  void Initialize(const tools::Property&) override { return; }
 
  bool Converged() const override { return true; }
 
  double Etotal() const override { return 0.0; }
 
  void Evaluate(std::vector<std::unique_ptr<Region> >&) override { return; }
  void Reset() override { return; };
 
 protected:
  void ResetRegion() { return; }
  void AppendResult(tools::Property&) const override { return; }
  double InteractwithQMRegion(const QMRegion&) override { return 0.0; }
  double InteractwithPolarRegion(const PolarRegion&) override { return 0.0; }
  double InteractwithStaticRegion(const StaticRegion&) override { return 0.0; }
  // A static region has no polarizability, so the background's field
  // does no work on it. Genuinely zero, like the three above.
  double InteractwithEwaldRegion(const EwaldRegion&) override { return 0.0; }
 
 private:
};
 
}  // namespace xtp
}  // namespace votca
 
#endif  // VOTCA_XTP_STATICREGION_H