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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions | Variables
constants.h File Reference
#include <complex>
Include dependency graph for constants.h:

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Namespaces

namespace  ModuleBase
 

Functions

const std::complex< double > ModuleBase::ZERO (0.0, 0.0)
 
const std::complex< double > ModuleBase::ONE (1.0, 0.0)
 
const std::complex< double > ModuleBase::NEG_ONE (-1.0, 0.0)
 
const std::complex< double > ModuleBase::IMAG_UNIT (0.0, 1.0)
 
const std::complex< double > ModuleBase::NEG_IMAG_UNIT (0.0,-1.0)
 

Variables

const double ModuleBase::PI = 3.14159265358979323846
 
const double ModuleBase::PI_HALF = PI / 2.0
 
const double ModuleBase::TWO_PI = 2 * PI
 
const double ModuleBase::FOUR_PI = 4.0 * 3.14159265358979323846
 
const double ModuleBase::INVERSE_FOUR_PI = 1.0/FOUR_PI
 
const double ModuleBase::SQRT_INVERSE_FOUR_PI = sqrt(INVERSE_FOUR_PI)
 
const double ModuleBase::SQRT2 = 1.41421356237309504880
 
const double ModuleBase::K_BOLTZMAN_SI = 1.3806504e-23
 
const double ModuleBase::K_BOLTZMAN_AU = 3.1667e-6
 
const double ModuleBase::Hartree_to_K = 3.1577464e5
 
const double ModuleBase::BOHR_RADIUS_SI = 0.529177e-10
 
const double ModuleBase::BOHR_TO_A = 0.5291770
 
const double ModuleBase::ELECTRONVOLT_SI = 1.6021892e-19
 
const double ModuleBase::ANGSTROM_AU = 1.8897270
 
const double ModuleBase::AU_to_FS = 2.418884326505e-2
 
const double ModuleBase::e2 = 2.0
 
const double ModuleBase::DEGSPIN = 2.0
 
const double ModuleBase::Hartree_to_eV = 27.211396
 
const double ModuleBase::Ry_to_eV = 13.605698
 
const double ModuleBase::NA = 6.02214129e23
 
const double ModuleBase::EMASS_SI = 9.1093826e-31
 
const double ModuleBase::AU_to_MASS = NA*EMASS_SI*1e3
 
const double ModuleBase::HARTREE_SI = 4.35974394e-18
 
const double ModuleBase::RYDBERG_SI = HARTREE_SI/2.0
 
const double ModuleBase::threshold_wg = 1.0e-10