LJ2Frame Class Reference

#include <lj2.h>

Inheritance diagram for LJ2Frame:

List of all members.

Public Member Functions
	LJ2Frame ()
void	lennard_jones_2 ()
virtual void	potential ()
virtual void	initvars ()
virtual void	initparser ()
virtual int	exec (char *name)
virtual void	calcprop ()
void	initLJ ()
Private Attributes
double	_ALJ_00
double	_BLJ_00
double	ALJ_00
double	BLJ_00
double	Uc_00
double	DUDRc_00
double	_ALJ_11
double	_BLJ_11
double	ALJ_11
double	BLJ_11
double	Uc_11
double	DUDRc_11
double	_ALJ_01
double	_BLJ_01
double	ALJ_01
double	BLJ_01
double	Uc_01
double	DUDRc_01

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Detailed Description

Definition at line 22 of file lj2.h.

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Constructor & Destructor Documentation

LJ2Frame::LJ2Frame

(

)

[inline]

Definition at line 30 of file lj2.h.

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Member Function Documentation

void LJ2Frame::calcprop

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 64 of file lj2.cpp.

int LJ2Frame::exec

(

char *

name

)

[virtual]

Reimplemented from MDFrame.

Definition at line 28 of file lj2.cpp.

References bindcommand, MDFrame::exec(), and initLJ().

void LJ2Frame::initLJ

(

)

Definition at line 42 of file lj2.cpp.

References _ALJ_00, _ALJ_01, _ALJ_11, _BLJ_00, _BLJ_01, _BLJ_11, ALJ_00, ALJ_01, ALJ_11, BLJ_00, BLJ_01, BLJ_11, DUDRc_00, DUDRc_01, DUDRc_11, INFO_Printf, LJ_ENERGY, LJ_LENGTH, LJ_RC, POW12, POW6, Uc_00, Uc_01, and Uc_11.

Referenced by exec().

void LJ2Frame::initparser

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 12 of file lj2.cpp.

References _ALJ_00, _ALJ_01, _ALJ_11, _BLJ_00, _BLJ_01, _BLJ_11, Organizer::bindvar(), and DOUBLE.

void LJ2Frame::initvars

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 35 of file lj2.cpp.

References MDFrame::_RLIST, MDFrame::_SKIN, and LJ_RC.

void LJ2Frame::lennard_jones_2

(

)

Definition at line 69 of file lj2.cpp.

References MDFrame::_EPOT, MDFrame::_EPOT_IND, MDFrame::_F, MDFrame::_NP, MDFrame::_SR, ALJ_00, ALJ_01, ALJ_11, BLJ_00, BLJ_01, BLJ_11, Vector3::clear(), DUDRc, DUDRc_00, DUDRc_01, DUDRc_11, DUMP, HIG, LJ_RC, MDFrame::nindex, MDFrame::nn, NOR, Vector3::norm2(), refreshneighborlist, MDFrame::species, Vector3::subint(), Uc, Uc_00, Uc_01, and Uc_11.

Referenced by potential().

void LJ2Frame::potential

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 139 of file lj2.cpp.

References lennard_jones_2().

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Member Data Documentation

double LJ2Frame::_ALJ_00 [private]

Definition at line 25 of file lj2.h.

Referenced by initLJ(), and initparser().

double LJ2Frame::_ALJ_01 [private]

Definition at line 27 of file lj2.h.

Referenced by initLJ(), and initparser().

double LJ2Frame::_ALJ_11 [private]

Definition at line 26 of file lj2.h.

Referenced by initLJ(), and initparser().

double LJ2Frame::_BLJ_00 [private]

Definition at line 25 of file lj2.h.

Referenced by initLJ(), and initparser().

double LJ2Frame::_BLJ_01 [private]

Definition at line 27 of file lj2.h.

Referenced by initLJ(), and initparser().

double LJ2Frame::_BLJ_11 [private]

Definition at line 26 of file lj2.h.

Referenced by initLJ(), and initparser().

double LJ2Frame::ALJ_00 [private]

Definition at line 25 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

double LJ2Frame::ALJ_01 [private]

Definition at line 27 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

double LJ2Frame::ALJ_11 [private]

Definition at line 26 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

double LJ2Frame::BLJ_00 [private]

Definition at line 25 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

double LJ2Frame::BLJ_01 [private]

Definition at line 27 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

double LJ2Frame::BLJ_11 [private]

Definition at line 26 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

double LJ2Frame::DUDRc_00 [private]

Definition at line 25 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

double LJ2Frame::DUDRc_01 [private]

Definition at line 27 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

double LJ2Frame::DUDRc_11 [private]

Definition at line 26 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

double LJ2Frame::Uc_00 [private]

Definition at line 25 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

double LJ2Frame::Uc_01 [private]

Definition at line 27 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

double LJ2Frame::Uc_11 [private]

Definition at line 26 of file lj2.h.

Referenced by initLJ(), and lennard_jones_2().

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

• My Documents/Codes/MD++.svn/trunk/src/lj2.h
• My Documents/Codes/MD++.svn/trunk/src/lj2.cpp