QNANO
Public Member Functions | Public Attributes | Static Public Attributes | List of all members
TB_Hopping_Parameter Class Reference

#include <TB_Hopping_Parameter.h>

Public Member Functions

double * name_to_ptr (const std::string &str)
 
double * name_to_ptr_check (const std::string &str, const std::string &complain="")
 
void print (int e1, int e2, std::ostream &os=std::cout) const
 
void print (int e1, int e2, const std::string &filename) const
 
void clear ()
 

Public Attributes

union {
   double   parvec [PARVEC_SIZE]
 
   struct {
      double   T_ss
 
      double   T_sp
 
      double   T_ps
 
      double   T_pp_sigma
 
      double   T_pp_pi
 
      double   T_ssstar
 
      double   T_sstars
 
      double   T_psstar
 
      double   T_sstarp
 
      double   T_sstarsstar
 
      double   T_sd
 
      double   T_ds
 
      double   T_pd_sigma
 
      double   T_dp_sigma
 
      double   T_pd_pi
 
      double   T_dp_pi
 
      double   T_sstard
 
      double   T_dsstar
 
      double   T_dd_sigma
 
      double   T_dd_pi
 
      double   T_dd_delta
 
      double   N_ss
 
      double   N_sp
 
      double   N_ps
 
      double   N_pp_sigma
 
      double   N_pp_pi
 
      double   N_ssstar
 
      double   N_sstars
 
      double   N_psstar
 
      double   N_sstarp
 
      double   N_sstarsstar
 
      double   N_sd
 
      double   N_ds
 
      double   N_pd_sigma
 
      double   N_dp_sigma
 
      double   N_pd_pi
 
      double   N_dp_pi
 
      double   N_sstard
 
      double   N_dsstar
 
      double   N_dd_sigma
 
      double   N_dd_pi
 
      double   N_dd_delta
 
   } 
 
}; 
 

Static Public Attributes

static const size_t PARVEC_SIZE =(21+21)
 

Detailed Description

Class to store one set of hopping parameters, e.g. Mo-Mo, Mo-S, or S-S only. Leave mixing to be dealt with in the TB_Hopping_Parameter_List structure.


The documentation for this class was generated from the following files: