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Public Member Functions | Public Attributes | Private Member Functions | List of all members
pocc::UFFPara Class Reference

#include <aflow.h>

Public Member Functions

 UFFPara ()
 
 ~UFFPara ()
 
void GetUFFParameters (string)
 

Public Attributes

string symbol
 
double r1
 
double theta0
 
double x1
 
double D1
 
double zeta
 
double Z1
 
double Vi
 
double Uj
 
double Xi
 
double hard
 
double radius
 

Private Member Functions

void free ()
 

Detailed Description

Definition at line 1689 of file aflow.h.

Constructor & Destructor Documentation

◆ UFFPara()

pocc::UFFPara::UFFPara ( )

◆ ~UFFPara()

pocc::UFFPara::~UFFPara ( )

Member Function Documentation

◆ GetUFFParameters()

void pocc::UFFPara::GetUFFParameters ( string )

◆ free()

void pocc::UFFPara::free ( )
private

Member Data Documentation

◆ symbol

string pocc::UFFPara::symbol

Definition at line 1693 of file aflow.h.

◆ r1

double pocc::UFFPara::r1

Definition at line 1694 of file aflow.h.

◆ theta0

double pocc::UFFPara::theta0

Definition at line 1694 of file aflow.h.

◆ x1

double pocc::UFFPara::x1

Definition at line 1694 of file aflow.h.

◆ D1

double pocc::UFFPara::D1

Definition at line 1694 of file aflow.h.

◆ zeta

double pocc::UFFPara::zeta

Definition at line 1694 of file aflow.h.

◆ Z1

double pocc::UFFPara::Z1

Definition at line 1694 of file aflow.h.

◆ Vi

double pocc::UFFPara::Vi

Definition at line 1694 of file aflow.h.

◆ Uj

double pocc::UFFPara::Uj

Definition at line 1694 of file aflow.h.

◆ Xi

double pocc::UFFPara::Xi

Definition at line 1694 of file aflow.h.

◆ hard

double pocc::UFFPara::hard

Definition at line 1694 of file aflow.h.

◆ radius

double pocc::UFFPara::radius

Definition at line 1694 of file aflow.h.

The documentation for this class was generated from the following file: