OpenStructure
Public Member Functions | Static Public Member Functions | Data Fields
AtomProp Class Reference

#include <atom_prop.hh>

Public Member Functions

 AtomProp ()
 AtomProp (Real r, Real m, Real c=0.0)
 AtomProp (const AtomProp &rhs)

Static Public Member Functions

static AtomPropGetDefaultProps (const String &ele)

Data Fields

Real radius
Real charge
Real mass
bool has_anisou
bool is_default
geom::Mat3 anisou

Detailed Description

Definition at line 29 of file atom_prop.hh.


Constructor & Destructor Documentation

AtomProp ( )
inline

Definition at line 31 of file atom_prop.hh.

AtomProp ( Real  r,
Real  m,
Real  c = 0.0 
)
inline

Definition at line 36 of file atom_prop.hh.

AtomProp ( const AtomProp rhs)
inline

Definition at line 39 of file atom_prop.hh.


Member Function Documentation

static AtomProp* GetDefaultProps ( const String ele)
static

Field Documentation

geom::Mat3 anisou

Definition at line 48 of file atom_prop.hh.

Real charge

Definition at line 44 of file atom_prop.hh.

bool has_anisou

Definition at line 46 of file atom_prop.hh.

bool is_default

Definition at line 47 of file atom_prop.hh.

Real mass

Definition at line 45 of file atom_prop.hh.

Real radius

Definition at line 43 of file atom_prop.hh.


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