SIRIUS 7.5.0
Electronic structure library and applications
Classes | Namespaces | Enumerations | Functions
smearing.hpp File Reference

Smearing functions used in finding the band occupancies. More...

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Classes

struct  sirius::smearing::gaussian
 
struct  sirius::smearing::fermi_dirac
 
struct  sirius::smearing::cold
 
struct  sirius::smearing::methfessel_paxton
 

Namespaces

module  sirius
 Namespace of the SIRIUS library.
 
namespace  sirius::smearing
 Occupancy smearing functions.
 

Enumerations

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

Functions

smearing_t sirius::smearing::get_smearing_t (std::string name__)
 
std::function< double(double)> sirius::smearing::occupancy (smearing_t type__, double width__)
 
std::function< double(double)> sirius::smearing::entropy (smearing_t type__, double width__)
 
std::function< double(double)> sirius::smearing::delta (smearing_t type__, double width__)
 
std::function< double(double)> sirius::smearing::dxdelta (smearing_t type__, double width__)
 

Detailed Description

Smearing functions used in finding the band occupancies.

Definition in file smearing.hpp.