delphi_cb
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delphi_constants.h File Reference

globally defined constants used for delphicpp More...

#include <vector>
#include <string>
#include "../interface/environment.h"
#include "../misc/misc_grid.h"

Go to the source code of this file.

Classes

struct  SAtomInfo
 
struct  SMCCE
 

Variables

const delphi_real fPi = 3.141592653589793
 pi
 
const delphi_real f4Pi = 1.256637061435917e+1
 4*pi
 
const delphi_real fSixth = 1.666666666666667e-1
 1/6
 
const delphi_real fZero = 1.0e-15
 practical zero for comparing delphi_real numbers
 
const int iStatementNum = 45
 number of statements
 
const int iFunctionNum_FullName = 11
 number of functions in full name
 
const int iFunctionNum_ShortName = 5
 number of functions in short name
 
const int iDMax = 50
 
const double dAbsoluteZero = -273.15
 
const double dAtomicUnitCrg = 1.602176487e-19
 temperature of absolute zero More...
 
const double dBoltzmannConstant = 1.3806504e-23
 k, Joule per Kelvin JK^(-1)
 
const double dVacuumPermittivity = 8.8541878176e-12
 e0, farads per meter Fm^(-1)
 
const double dEPK = 167100.9162872952
 e^2/(4*pi*e0*k*1.0e-10)
 
const char rgcFileMap [] = "qdiffxas: qdiffxs4 with an improved surfacing routine"
 

Detailed Description

globally defined constants used for delphicpp

Author
Chuan Li, chuan.nosp@m.li@c.nosp@m.lemso.nosp@m.n.ed.nosp@m.u

Variable Documentation

const double dAtomicUnitCrg = 1.602176487e-19

temperature of absolute zero

e, Coulomb C