CASM
AClustersApproachtoStatisticalMechanics
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Public Member Functions | Public Attributes | List of all members
CASM::ClexDescription Struct Reference
Project

#include <ProjectSettings.hh>

Detailed Description

Specifies a particular cluster expansion.

  • Cluster expansions are given an identifying name as a shortcut
  • Cluster expansions are fully specified via:
    • property: the property being expanded, for instance 'formation_energy'
    • calctype: the type of calculations of the property the cluster expansion is fit to
    • ref: indicates a reference used to calculate the property being expanded
    • bset: the basis set used

Definition at line 56 of file ProjectSettings.hh.

Public Member Functions

 ClexDescription ()
 
 ClexDescription (std::string _name, std::string _property, std::string _calctype, std::string _ref, std::string _bset, std::string _eci)
 
void print (std::ostream &sout, bool is_default, int indent=0) const
 

Public Attributes

std::string name
 
std::string property
 
std::string calctype
 
std::string ref
 
std::string bset
 
std::string eci
 

Constructor & Destructor Documentation

CASM::ClexDescription::ClexDescription ( )
inline

Definition at line 57 of file ProjectSettings.hh.

CASM::ClexDescription::ClexDescription ( std::string  _name,
std::string  _property,
std::string  _calctype,
std::string  _ref,
std::string  _bset,
std::string  _eci 
)
inline

Definition at line 59 of file ProjectSettings.hh.

Member Function Documentation

void CASM::ClexDescription::print ( std::ostream &  sout,
bool  is_default,
int  indent = 0 
) const

Definition at line 35 of file ProjectSettings.cc.

Member Data Documentation

std::string CASM::ClexDescription::bset

Definition at line 73 of file ProjectSettings.hh.

std::string CASM::ClexDescription::calctype

Definition at line 71 of file ProjectSettings.hh.

std::string CASM::ClexDescription::eci

Definition at line 74 of file ProjectSettings.hh.

std::string CASM::ClexDescription::name

Definition at line 69 of file ProjectSettings.hh.

std::string CASM::ClexDescription::property

Definition at line 70 of file ProjectSettings.hh.

std::string CASM::ClexDescription::ref

Definition at line 72 of file ProjectSettings.hh.

The documentation for this struct was generated from the following files: