CanonicalEvent.hh

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#ifndef CASM_Monte_CanonicalEvent
#define CASM_Monte_CanonicalEvent
 
#include "casm/external/Eigen/Dense"
#include "casm/global/definitions.hh"
#include "casm/monte_carlo/MonteDefinitions.hh"
#include "casm/monte_carlo/OccLocation.hh"
 
namespace CASM {
namespace Monte {
 
class CanonicalEvent {
 public:
  CanonicalEvent() {}
 
  CanonicalEvent(size_type Nspecies, size_type Ncorr);
 
  void set_dEf(double dE);
 
  double dEf() const;
 
  const Eigen::VectorXl &dN() const;
 
  long int dN(size_type species_type_index) const;
 
  double dEpot() const;
 
  Eigen::VectorXd &dCorr();
 
  const Eigen::VectorXd &dCorr() const;
 
  OccEvent &occ_event();
 
  const OccEvent &occ_event() const;
 
 private:
  Eigen::VectorXd m_dCorr;
 
  double m_dEf;
 
  // double m_dEpot; == m_dEf
 
  Eigen::VectorXl m_dN;
 
  OccEvent m_occ_event;
};
 
}  // namespace Monte
}  // namespace CASM
 
#endif