29 return m_dN(species_type_index);
CanonicalEvent()
Default constructor.
double dEpot() const
Return change in (extensive) potential energy, dEpot = dEf.
double dEf() const
Return change in (extensive) formation energy associated with this event.
void set_dEf(double dE)
Set the change in (extensive) formation energy associated with this event.
Eigen::VectorXd & dCorr()
Access the changes in (extensive) correlations associated with this event.
double m_dEf
Change in (extensive) formation energy due to this event.
Eigen::VectorXd m_dCorr
Change in (extensive) correlations due to this event.
OccEvent & occ_event()
Access the data describing this event.
const Eigen::VectorXl & dN() const
const Access change in number of species per supercell. Zeros, size of CompositionConverter::componen...
OccEvent m_occ_event
The modifications performed by 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