constants.h File Reference

#include <TypeConfig.h>

Go to the source code of this file.

Namespaces
namespace	dftfe

Functions
dftfe::uInt	dftfe::C_num1DQuad (dftfe::uInt FEOrder)
	1d quadrature rule order
constexpr dftfe::uInt	dftfe::C_num1DQuadSmearedCharge ()
	1d quad rule smeared nuclear charge
constexpr dftfe::uInt	dftfe::C_numCopies1DQuadSmearedCharge ()
	number of copies 1d quad rule smeared nuclear charge
constexpr dftfe::uInt	dftfe::C_num1DQuadSmearedChargeHigh ()
constexpr dftfe::uInt	dftfe::C_numCopies1DQuadSmearedChargeHigh ()
constexpr dftfe::uInt	dftfe::C_num1DQuadSmearedChargeStress ()
	1d quad rule smeared nuclear charge if cell stress calculation is on
constexpr dftfe::uInt	dftfe::C_numCopies1DQuadSmearedChargeStress ()
dftfe::uInt	dftfe::C_num1DQuadNLPSP (dftfe::uInt FEOrder)
	1d quadrature rule order for non-local part of pseudopotential
constexpr dftfe::uInt	dftfe::C_numCopies1DQuadNLPSP ()
	number of copies 1d quad rule non-local PSP
dftfe::uInt	dftfe::C_num1DQuadLPSP (dftfe::uInt FEOrder)
	1d quadrature rule order for local part of pseudopotential
constexpr dftfe::uInt	dftfe::C_numCopies1DQuadLPSP ()
	number of copies 1d quad rule local PSP

Variables
const double	dftfe::C_kb = 3.166811429e-06
	Boltzmann constant.
const double	dftfe::C_haPerBohrToeVPerAng = 27.211386245988 / 0.529177210903
const double	dftfe::C_haToeV = 27.211386245988
const double	dftfe::C_bohrToAng = 0.529177210903
const double	dftfe::C_pi = 3.14159265359
const double	dftfe::C_AngToBohr = 1.0 / 0.529177210903