InversionType.hpp

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 *
 * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
 * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
 * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
 * [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 * [5] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
 * [6] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
 * [7] Lamichhane, Newman & Gezelter, J. Chem. Phys. 141, 134110 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 */
 
/**
 * @file InversionType.hpp
 * @author    tlin
 * @date  11/01/2004
 * @version 1.0
 */
 
#ifndef TYPES_INVERSIONTYPE_HPP
#define TYPES_INVERSIONTYPE_HPP
 
#include <config.h>
 
namespace OpenMD {
 
  enum InversionKey {
    itAngle,
    itCosAngle
    // itHeight,
    // itUmbrella
  };
 
  /**
   * @class InversionType InversionType.hpp "types/InversionType.hpp"
   */
  class InversionType {
  public:
    virtual ~InversionType() {}
 
    virtual void calcForce(RealType cosPhi, RealType& V,
                           RealType& dVdCosPhi) = 0;
    virtual InversionKey getKey()               = 0;
  };
}  // namespace OpenMD
 
#endif  // TYPES_INVERSIONTYPE_HPP