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ElectronicStructure Class Reference

Public Member Functions

 ElectronicStructure (int n)
 
 ElectronicStructure (const ElectronicStructure &es)
 
ElectronicStructure operator= (ElectronicStructure es)
 
ElectronicStructure operator<< (ElectronicStructure es)
 
void set_state (int indx)
 
double energy ()
 
double norm ()
 
void update_populations ()
 
void update_hop_prob (double dt, int is_boltz_flag, double Temp, CMATRIX &Ef)
 
void update_hop_prob_fssh (double dt, int is_boltz_flag, double Temp, CMATRIX &Ef, double Ex, CMATRIX &)
 
void update_hop_prob_mssh (double dt, int is_boltz_flag, double Temp, CMATRIX &Ef, double Ex, CMATRIX &)
 
void update_hop_prob_gfsh (double dt, int is_boltz_flag, double Temp, CMATRIX &Ef, double Ex, CMATRIX &)
 
void init_hop_prob1 ()
 
void check_decoherence (double dt, int boltz_flag, double Temp, CMATRIX &rates, Random &rnd)
 
void propagate_coefficients (double dt, CMATRIX &Ef)
 
void propagate_coefficients (double dt, CMATRIX &Ef, CMATRIX &)
 
void propagate_coefficients1 (double dt, int opt, CMATRIX &Ef)
 
void propagate_coefficients2 (double dt, CMATRIX &Ef)
 

Public Attributes

int num_states
 
int curr_state
 
CMATRIX * Ccurr
 
CMATRIX * Cprev
 
CMATRIX * Cnext
 
CMATRIX * A
 
CMATRIX * Hcurr
 
CMATRIX * Hprev
 
CMATRIX * Hnext
 
CMATRIX * dHdt
 
CMATRIX * Hprimex
 
CMATRIX * Hprimey
 
CMATRIX * Hprimez
 
vector< double > g
 
vector< double > tau_m
 
vector< double > t_m
 
The documentation for this class was generated from the following files:
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