ALGLUEFrame Class Reference

#include <alglue.h>

Inheritance diagram for ALGLUEFrame:

List of all members.

Public Member Functions
	ALGLUEFrame ()
virtual void	potential ()
int	initglue ()
int	al_glue ()
virtual void	Alloc ()
virtual void	initvars ()
virtual void	initparser ()
virtual int	exec (char *nam)
Public Attributes
int	pottype
double	invdeltarsq
double	invdeltacoord
double	deltacoord
double	phitab [NGRID]
double	dphitab [NGRID]
double	rhotab [NGRID]
double	drhotab [NGRID]
double	utab [NGRID]
double	dutab [NGRID]
double	rcutoff
double	rmin
double	rsqmin
double	deltarsq
double	coordmax
double *	deru
double *	coord
Vector3 *	rijstore

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Detailed Description

Definition at line 19 of file alglue.h.

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Constructor & Destructor Documentation

ALGLUEFrame::ALGLUEFrame

(

)

[inline]

Definition at line 34 of file alglue.h.

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Member Function Documentation

int ALGLUEFrame::al_glue

(

)

Definition at line 60 of file alglue.cpp.

References MDFrame::_EPOT, MDFrame::_EPOT_IND, MDFrame::_F, MDFrame::_NNM, MDFrame::_NP, MDFrame::_SR, Vector3::clear(), coord, deru, dphitab, drhotab, dutab, MDFrame::fixed, int(), invdeltacoord, invdeltarsq, NGRID, MDFrame::nindex, MDFrame::nn, Vector3::norm2(), phitab, rcutoff, refreshneighborlist, rhotab, rsqmin, Vector3::subint(), and utab.

Referenced by potential().

void ALGLUEFrame::Alloc

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 176 of file alglue.cpp.

References MDFrame::_NP, MDFrame::allocmultiple, coord, deru, and Realloc.

int ALGLUEFrame::exec

(

char *

nam

)

[virtual]

Reimplemented from MDFrame.

Definition at line 205 of file alglue.cpp.

References MDFrame::exec().

int ALGLUEFrame::initglue

(

)

Definition at line 13 of file alglue.cpp.

References MDFrame::_RLIST, MDFrame::_SKIN, coordmax, deltacoord, deltarsq, dphitab, drhotab, dutab, invdeltacoord, invdeltarsq, NGRID, phitab, rcutoff, rh(), rhotab, rmin, rsqmin, utab, uu(), and v2().

Referenced by initvars().

void ALGLUEFrame::initparser

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 200 of file alglue.cpp.

void ALGLUEFrame::initvars

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 193 of file alglue.cpp.

References initglue().

void ALGLUEFrame::potential

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 188 of file alglue.cpp.

References al_glue().

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Member Data Documentation

double * ALGLUEFrame::coord

Definition at line 31 of file alglue.h.

Referenced by al_glue(), and Alloc().

double ALGLUEFrame::coordmax

Definition at line 29 of file alglue.h.

Referenced by initglue().

double ALGLUEFrame::deltacoord

Definition at line 26 of file alglue.h.

Referenced by initglue().

double ALGLUEFrame::deltarsq

Definition at line 29 of file alglue.h.

Referenced by initglue().

double* ALGLUEFrame::deru

Definition at line 31 of file alglue.h.

Referenced by al_glue(), and Alloc().

double ALGLUEFrame::dphitab[NGRID]

Definition at line 27 of file alglue.h.

Referenced by al_glue(), and initglue().

double ALGLUEFrame::drhotab[NGRID]

Definition at line 27 of file alglue.h.

Referenced by al_glue(), and initglue().

double ALGLUEFrame::dutab[NGRID]

Definition at line 28 of file alglue.h.

Referenced by al_glue(), and initglue().

double ALGLUEFrame::invdeltacoord

Definition at line 26 of file alglue.h.

Referenced by al_glue(), and initglue().

double ALGLUEFrame::invdeltarsq

Definition at line 26 of file alglue.h.

Referenced by al_glue(), and initglue().

double ALGLUEFrame::phitab[NGRID]

Definition at line 27 of file alglue.h.

Referenced by al_glue(), and initglue().

int ALGLUEFrame::pottype

Definition at line 22 of file alglue.h.

double ALGLUEFrame::rcutoff

Definition at line 29 of file alglue.h.

Referenced by al_glue(), and initglue().

double ALGLUEFrame::rhotab[NGRID]

Definition at line 27 of file alglue.h.

Referenced by al_glue(), and initglue().

Vector3* ALGLUEFrame::rijstore

Definition at line 32 of file alglue.h.

double ALGLUEFrame::rmin

Definition at line 29 of file alglue.h.

Referenced by initglue().

double ALGLUEFrame::rsqmin

Definition at line 29 of file alglue.h.

Referenced by al_glue(), and initglue().

double ALGLUEFrame::utab[NGRID]

Definition at line 28 of file alglue.h.

Referenced by al_glue(), and initglue().

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

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