sirius::smearing Namespace Reference

Occupancy smearing functions. More...

Classes
struct	cold
struct	fermi_dirac
struct	gaussian
struct	methfessel_paxton

Enumerations
enum class	smearing_t { gaussian , fermi_dirac , cold , methfessel_paxton }

Functions
double	mp_coefficients (int n)
smearing_t	get_smearing_t (std::string name__)
std::function< double(double)>	occupancy (smearing_t type__, double width__)
std::function< double(double)>	entropy (smearing_t type__, double width__)
std::function< double(double)>	delta (smearing_t type__, double width__)
std::function< double(double)>	dxdelta (smearing_t type__, double width__)

Variables
const double	pi = 3.1415926535897932385
const double	sqrt2 = std::sqrt(2.0)

Detailed Description

Occupancy smearing functions.

Enumeration Type Documentation

smearing_t

enum class sirius::smearing::smearing_t

strong

Definition at line 40 of file smearing.hpp.

Function Documentation

mp_coefficients()

double sirius::smearing::mp_coefficients

(

int

n

)

Coefficients \(A_n\) required to compute the MP-smearing:

\[ \frac{(-1)^n}{n! 4^n \sqrt{\pi}} \]

Definition at line 129 of file smearing.cpp.

get_smearing_t()

smearing_t sirius::smearing::get_smearing_t ( std::string  name__ )

inline

Definition at line 49 of file smearing.hpp.

occupancy()

std::function< double(double)> sirius::smearing::occupancy ( smearing_t  type__, double  width__  )

inline

Definition at line 111 of file smearing.hpp.

entropy()

std::function< double(double)> sirius::smearing::entropy ( smearing_t  type__, double  width__  )

inline

Definition at line 133 of file smearing.hpp.

delta()

std::function< double(double)> sirius::smearing::delta ( smearing_t  type__, double  width__  )

inline

Definition at line 155 of file smearing.hpp.

dxdelta()

std::function< double(double)> sirius::smearing::dxdelta ( smearing_t  type__, double  width__  )

inline

Definition at line 177 of file smearing.hpp.

Variable Documentation

pi

const double sirius::smearing::pi = 3.1415926535897932385

Definition at line 10 of file smearing.cpp.

sqrt2

const double sirius::smearing::sqrt2 = std::sqrt(2.0)

Definition at line 12 of file smearing.cpp.