ShortRangeInteraction.cpp

/*
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 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the following paper when you publish your work:
 *
 * [1] Drisko et al., J. Open Source Softw. 9, 7004 (2024).
 *
 * Good starting points for code and simulation methodology are:
 *
 * [2] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
 * [3] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
 * [4] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
 * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 * [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
 * [7] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 * [9] Drisko & Gezelter, J. Chem. Theory Comput. 20, 4986-4997 (2024).
 */
 
#include "primitives/ShortRangeInteraction.hpp"
 
#include <memory>
 
namespace OpenMD {
 
  ShortRangeInteraction::ShortRangeInteraction() :
      globalIndex_(-1), localIndex_(-1) {}
 
  ShortRangeInteraction::~ShortRangeInteraction() {}
 
  RealType ShortRangeInteraction::getValue() {
    int id = snapshotMan_->getCurrentSnapshot()->getID();
    return getValue(id);
  }
 
  RealType ShortRangeInteraction::getPrevValue() {
    int id = snapshotMan_->getPrevSnapshot()->getID();
    return getValue(id);
  }
 
  void ShortRangeInteraction::addProperty(
      std::shared_ptr<GenericData> genData) {
    properties_.addProperty(genData);
  }
 
  void ShortRangeInteraction::removeProperty(const std::string& propName) {
    properties_.removeProperty(propName);
  }
 
  std::vector<std::string> ShortRangeInteraction::getPropertyNames() {
    return properties_.getPropertyNames();
  }
 
  std::vector<std::shared_ptr<GenericData>>
      ShortRangeInteraction::getProperties() {
    return properties_.getProperties();
  }
 
  std::shared_ptr<GenericData> ShortRangeInteraction::getPropertyByName(
      const std::string& propName) {
    return properties_.getPropertyByName(propName);
  }
}  // namespace OpenMD