CASM
AClustersApproachtoStatisticalMechanics
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CanonicalEvent.cc
Go to the documentation of this file.
2 
3 namespace CASM {
4  namespace Monte {
5 
12  m_dCorr(Eigen::VectorXd(Ncorr)),
13  m_dN(Eigen::VectorXl::Zero(Nspecies)) { }
14 
15 
17  void CanonicalEvent::set_dEf(double dEf) {
18  m_dEf = dEf;
19  }
20 
22  double CanonicalEvent::dEf() const {
23  return m_dEf;
24  }
25 
26 
29  return m_dN;
30  }
31 
33  long int CanonicalEvent::dN(size_type species_type_index) const {
34  return m_dN(species_type_index);
35  }
36 
37 
39  double CanonicalEvent::dEpot() const {
40  return m_dEf;
41  }
42 
45  return m_dCorr;
46  }
47 
50  return m_dCorr;
51  }
52 
55  return m_occ_event;
56  }
57 
60  return m_occ_event;
61  }
62  }
63 }
Eigen::VectorXd m_dCorr
Change in (extensive) correlations due to this event.
CanonicalEvent()
Default constructor.
void set_dEf(double dE)
Set the change in (extensive) formation energy associated with this event.
const Eigen::VectorXl & dN() const
const Access change in number of species per supercell. Zeros, size of CompositionConverter::componen...
Main CASM namespace.
Definition: complete.cpp:8
double dEpot() const
Return change in (extensive) potential energy, dEpot = dEf.
double dEf() const
Return change in (extensive) formation energy associated with this event.
OccEvent & occ_event()
Access the data describing this event.
Eigen::VectorXd & dCorr()
Access the changes in (extensive) correlations associated with this event.
Eigen::VectorXl m_dN
Change in (extensive) potential energy, dEpot = dEf - sum_i(Nunit * param_chem_pot_i * dcomp_x_i) ...
Matrix< long int, Dynamic, 1 > VectorXl
Eigen::VectorXd VectorXd
double m_dEf
Change in (extensive) formation energy due to this event.
OccEvent m_occ_event
The modifications performed by this event.