IsingFrame Class Reference

#include <ising.h>

Inheritance diagram for IsingFrame:

List of all members.

Public Member Functions
	IsingFrame ()
virtual	~IsingFrame ()
void	initparser ()
int	exec (char *name)
void	initvars ()
void	runcommand ()
void	Alloc ()
void	initspin ()
void	initpath (int pn)
void	copypath (int pdes, int psrc)
void	cutpath (int pn, int istart, int newlen)
void	reversepath (int pn)
void	mergepath (int phead, int ptail)
void	MCrun ()
double	Energy ()
void	SampleMCpath (double smin, double smax, int nmax, int pn)
void	WalkonChain (double smin, double smax, int nmax)
int	ComputeSuccessRate (int nsample, double smin, double smax, int nmax)
void	AnalyzeConfigs (int nstart, int nend, int nsample, double smin, double smax, int nmax)
void	copyPathtoS (int pn, int nstep)
void	copyStoS0 ()
void	copyS0toS ()
int	FFSprocess ()
void	calcrystalorder ()
void	allocDFS ()
void	assign_Lam ()
void	DFS (int)
virtual void	saveintercn (int)
int	readcn ()
int	setfilecounter ()
int	setFFSfilecounter ()
int	openintercnfile ()
int	openFFScnfile ()
int	openpropfile ()
int	writefinalcnfile (int zip=1, bool bg=true)
int	writeintercnfile (int zip=1, bool bg=false)
int	writeFFScnfile (int zip=1, bool bg=false)
int	writepath (int pn)
int	readpath (int pn)
void	writefortraninifile (char *fname)
void	fortranrelax ()
void	winplot ()
void	winplot (int)
void	openwin ()
void	plot ()
int	openwindow (int w, int h, const char *n)
void	closewindow ()
void	wintogglepause ()
void	alloccolors ()
void	alloccolorsX ()
void	rotate ()
void	saverot ()
Public Attributes
int	_NX
int	_NY
int	_NZ
int *	_S
int *	_S0
int	Stot
int	Ntot
double	kBT
double	J
double	H
double	E
int	totalsteps
int	curstep
int	continue_curstep
int	step0
double	MC_spin
double	MC_accept
double	MC_accept_tot
double	MC_accept_ratio
int	_RANDSEED
int	_NSAMPLE
int	_NSUCCESS
class Path pathA pathB	pathC
int	N_lgst_cluster
int	N_lgst_avg
int	N_cluster_temp
int *	DFS_mark
int *	_Lam_array
int *	_Lam_check
int	saveFFScn
int	FFSoption
int	FFSpruning
double	FFScn_weight
double	FFS_Pp
int	FFS0_check
int	lambda_A
int	lambda_B
int	FFScurstep
int	FFSautoend
YWindow *	win
int	win_width
int	win_height
double	rotateangles [5]
int	plotfreq
double	atomradius [MAXSPECIES]
double	bondradius
double	bondlength
char	atomcolor [MAXSPECIES][30]
char	bondcolor [30]
char	fixatomcolor [30]
char	highlightcolor [30]
char	backgroundcolor [30]
char	colornames [MAXCOLORS][30]
unsigned	colors [MAXCOLORS+15]
double	input [20000]
class CNFile initcn intercn FFScn	finalcn
class PropFile	pf
char	incnfile [200]
char	finalcnfile [200]
char	intercnfile [200]
char	FFScnfile [200]
char	outpropfile [200]
char	myname [200]
char	pathfile [200]
char	command [1000]
int	ncom
int	savecn
int	savecnfreq
int	saveprop
int	savepropfreq
int	printfreq
int	calcryfreq
int	filecounter
int	FFSfilecounter
int	zipfiles

---

Detailed Description

Definition at line 83 of file ising.h.

---

Constructor & Destructor Documentation

IsingFrame::IsingFrame

(

)

[inline]

Definition at line 161 of file ising.h.

References input.

virtual IsingFrame::~IsingFrame

(

)

[inline, virtual]

Definition at line 199 of file ising.h.

References win.

---

Member Function Documentation

void IsingFrame::Alloc

(

)

void IsingFrame::alloccolors

(

)

Referenced by exec().

void IsingFrame::alloccolorsX

(

)

Referenced by exec().

void IsingFrame::allocDFS

(

)

Referenced by exec().

void IsingFrame::AnalyzeConfigs	(	int	nstart,
		int	nend,
		int	nsample,
		double	smin,
		double	smax,
		int	nmax
	)

Referenced by exec().

void IsingFrame::assign_Lam

(

)

Referenced by exec().

void IsingFrame::calcrystalorder

(

)

Referenced by exec().

void IsingFrame::closewindow

(

)

int IsingFrame::ComputeSuccessRate	(	int	nsample,
		double	smin,
		double	smax,
		int	nmax
	)

Referenced by exec().

void IsingFrame::copypath	(	int	pdes,
		int	psrc
	)

void IsingFrame::copyPathtoS	(	int	pn,
		int	nstep
	)

Referenced by exec().

void IsingFrame::copyS0toS

(

)

void IsingFrame::copyStoS0

(

)

void IsingFrame::cutpath	(	int	pn,
		int	istart,
		int	newlen
	)

void IsingFrame::DFS

(

int

)

double IsingFrame::Energy

(

)

int IsingFrame::exec

(

char *

name

)

[virtual]

Reimplemented from Organizer.

Definition at line 81 of file ising.cpp.

References _NSAMPLE, _NSUCCESS, _RANDSEED, alloccolors(), alloccolorsX(), allocDFS(), AnalyzeConfigs(), assign_Lam(), bindcommand, calcrystalorder(), ComputeSuccessRate(), copyPathtoS(), Organizer::exec(), FFSprocess(), initpath(), initspin(), input, MCrun(), NULL, openFFScnfile(), openintercnfile(), openpropfile(), openwin(), plot(), readcn(), readpath(), SYWindow::reversergb(), rotate(), runcommand(), SampleMCpath(), saverot(), setFFSfilecounter(), setfilecounter(), WalkonChain(), win, wintogglepause(), writeFFScnfile(), writefinalcnfile(), writeintercnfile(), and writepath().

int IsingFrame::FFSprocess

(

)

Referenced by exec().

void IsingFrame::fortranrelax

(

)

void IsingFrame::initparser

(

)

Definition at line 5 of file ising.cpp.

References _NSAMPLE, _NSUCCESS, _NX, _NY, _NZ, _RANDSEED, atomcolor, atomradius, backgroundcolor, Organizer::bindvar(), calcryfreq, colornames, command, continue_curstep, curstep, DOUBLE, FFS0_check, FFS_Pp, FFSautoend, FFScn_weight, FFScnfile, FFScurstep, FFSfilecounter, FFSoption, FFSpruning, filecounter, finalcnfile, H, incnfile, input, INT, intercnfile, J, kBT, lambda_A, lambda_B, MAXCOLORS, MAXSPECIES, myname, N_lgst_avg, N_lgst_cluster, outpropfile, plotfreq, printfreq, rotateangles, s, savecn, savecnfreq, saveFFScn, saveprop, savepropfreq, STRING, totalsteps, win_height, win_width, and zipfiles.

Referenced by initvars().

void IsingFrame::initpath

(

int

pn

)

Referenced by exec().

void IsingFrame::initspin

(

)

Referenced by exec().

void IsingFrame::initvars

(

)

Definition at line 160 of file ising.cpp.

References atomcolor, atomradius, bondcolor, colornames, command, FFScnfile, finalcnfile, highlightcolor, incnfile, initparser(), intercnfile, MAXCOLORS, MAXSPECIES, and outpropfile.

void IsingFrame::MCrun

(

)

Referenced by exec().

void IsingFrame::mergepath	(	int	phead,
		int	ptail
	)

int IsingFrame::openFFScnfile

(

)

Referenced by exec().

int IsingFrame::openintercnfile

(

)

Referenced by exec().

int IsingFrame::openpropfile

(

)

Referenced by exec().

void IsingFrame::openwin

(

)

Referenced by exec().

int IsingFrame::openwindow	(	int	w,
		int	h,
		const char *	n
	)

void IsingFrame::plot

(

)

Referenced by exec().

int IsingFrame::readcn

(

)

Referenced by exec().

int IsingFrame::readpath

(

int

pn

)

Referenced by exec().

void IsingFrame::reversepath

(

int

pn

)

void IsingFrame::rotate

(

)

Referenced by exec().

void IsingFrame::runcommand

(

)

Definition at line 137 of file ising.cpp.

References command, ncom, Organizer::nolog, and LFile::SubHomeDir().

Referenced by exec().

void IsingFrame::SampleMCpath	(	double	smin,
		double	smax,
		int	nmax,
		int	pn
	)

Referenced by exec().

virtual void IsingFrame::saveintercn

(

int

)

[virtual]

void IsingFrame::saverot

(

)

Referenced by exec().

int IsingFrame::setFFSfilecounter

(

)

Referenced by exec().

int IsingFrame::setfilecounter

(

)

Referenced by exec().

void IsingFrame::WalkonChain	(	double	smin,
		double	smax,
		int	nmax
	)

Referenced by exec().

void IsingFrame::winplot

(

int

)

void IsingFrame::winplot

(

)

void IsingFrame::wintogglepause

(

)

Referenced by exec().

int IsingFrame::writeFFScnfile	(	int	zip = 1,
		bool	bg = false
	)

Referenced by exec().

int IsingFrame::writefinalcnfile	(	int	zip = 1,
		bool	bg = true
	)

Referenced by exec().

void IsingFrame::writefortraninifile

(

char *

fname

)

int IsingFrame::writeintercnfile	(	int	zip = 1,
		bool	bg = false
	)

Referenced by exec().

int IsingFrame::writepath

(

int

pn

)

Referenced by exec().

---

Member Data Documentation

int* IsingFrame::_Lam_array

Definition at line 111 of file ising.h.

int * IsingFrame::_Lam_check

Definition at line 111 of file ising.h.

int IsingFrame::_NSAMPLE

Definition at line 101 of file ising.h.

Referenced by exec(), and initparser().

int IsingFrame::_NSUCCESS

Definition at line 101 of file ising.h.

Referenced by exec(), and initparser().

int IsingFrame::_NX

Definition at line 86 of file ising.h.

Referenced by initparser().

int IsingFrame::_NY

Definition at line 86 of file ising.h.

Referenced by initparser().

int IsingFrame::_NZ

Definition at line 86 of file ising.h.

Referenced by initparser().

int IsingFrame::_RANDSEED

Definition at line 100 of file ising.h.

Referenced by exec(), and initparser().

int* IsingFrame::_S

Definition at line 89 of file ising.h.

int * IsingFrame::_S0

Definition at line 89 of file ising.h.

char IsingFrame::atomcolor[MAXSPECIES][30]

Definition at line 133 of file ising.h.

Referenced by initparser(), and initvars().

double IsingFrame::atomradius[MAXSPECIES]

Definition at line 130 of file ising.h.

Referenced by initparser(), and initvars().

char IsingFrame::backgroundcolor[30]

Definition at line 137 of file ising.h.

Referenced by initparser().

char IsingFrame::bondcolor[30]

Definition at line 134 of file ising.h.

Referenced by initvars().

double IsingFrame::bondlength

Definition at line 131 of file ising.h.

double IsingFrame::bondradius

Definition at line 131 of file ising.h.

int IsingFrame::calcryfreq

Definition at line 154 of file ising.h.

Referenced by initparser().

char IsingFrame::colornames[MAXCOLORS][30]

Definition at line 138 of file ising.h.

Referenced by initparser(), and initvars().

unsigned IsingFrame::colors[MAXCOLORS+15]

Definition at line 139 of file ising.h.

char IsingFrame::command[1000]

Definition at line 151 of file ising.h.

Referenced by initparser(), initvars(), and runcommand().

int IsingFrame::continue_curstep

Definition at line 97 of file ising.h.

Referenced by initparser().

int IsingFrame::curstep

Definition at line 97 of file ising.h.

Referenced by initparser().

int* IsingFrame::DFS_mark

Definition at line 110 of file ising.h.

double IsingFrame::E

Definition at line 94 of file ising.h.

int IsingFrame::FFS0_check

Definition at line 118 of file ising.h.

Referenced by initparser().

double IsingFrame::FFS_Pp

Definition at line 117 of file ising.h.

Referenced by initparser().

int IsingFrame::FFSautoend

Definition at line 122 of file ising.h.

Referenced by initparser().

double IsingFrame::FFScn_weight

Definition at line 116 of file ising.h.

Referenced by initparser().

char IsingFrame::FFScnfile[200]

Definition at line 147 of file ising.h.

Referenced by initparser(), and initvars().

int IsingFrame::FFScurstep

Definition at line 121 of file ising.h.

Referenced by initparser().

int IsingFrame::FFSfilecounter

Definition at line 156 of file ising.h.

Referenced by initparser().

int IsingFrame::FFSoption

Definition at line 114 of file ising.h.

Referenced by initparser().

int IsingFrame::FFSpruning

Definition at line 115 of file ising.h.

Referenced by initparser().

int IsingFrame::filecounter

Definition at line 155 of file ising.h.

Referenced by initparser().

class CNFile initcn intercn FFScn IsingFrame::finalcn

Definition at line 143 of file ising.h.

char IsingFrame::finalcnfile[200]

Definition at line 145 of file ising.h.

Referenced by initparser(), and initvars().

char IsingFrame::fixatomcolor[30]

Definition at line 135 of file ising.h.

double IsingFrame::H

Definition at line 93 of file ising.h.

Referenced by initparser().

char IsingFrame::highlightcolor[30]

Definition at line 136 of file ising.h.

Referenced by initvars().

char IsingFrame::incnfile[200]

Definition at line 145 of file ising.h.

Referenced by initparser(), and initvars().

double IsingFrame::input[20000]

Definition at line 142 of file ising.h.

Referenced by exec(), initparser(), and IsingFrame().

char IsingFrame::intercnfile[200]

Definition at line 146 of file ising.h.

Referenced by initparser(), and initvars().

double IsingFrame::J

Definition at line 93 of file ising.h.

Referenced by initparser().

double IsingFrame::kBT

Definition at line 93 of file ising.h.

Referenced by initparser().

int IsingFrame::lambda_A

Definition at line 119 of file ising.h.

Referenced by initparser().

int IsingFrame::lambda_B

Definition at line 120 of file ising.h.

Referenced by initparser().

double IsingFrame::MC_accept

Definition at line 99 of file ising.h.

double IsingFrame::MC_accept_ratio

Definition at line 99 of file ising.h.

double IsingFrame::MC_accept_tot

Definition at line 99 of file ising.h.

double IsingFrame::MC_spin

Definition at line 99 of file ising.h.

char IsingFrame::myname[200]

Definition at line 149 of file ising.h.

Referenced by initparser().

int IsingFrame::N_cluster_temp

Definition at line 109 of file ising.h.

int IsingFrame::N_lgst_avg

Definition at line 108 of file ising.h.

Referenced by initparser().

int IsingFrame::N_lgst_cluster

Definition at line 107 of file ising.h.

Referenced by initparser().

int IsingFrame::ncom

Definition at line 151 of file ising.h.

Referenced by runcommand().

int IsingFrame::Ntot

Definition at line 91 of file ising.h.

char IsingFrame::outpropfile[200]

Definition at line 148 of file ising.h.

Referenced by initparser(), and initvars().

class Path pathA pathB IsingFrame::pathC

Definition at line 104 of file ising.h.

char IsingFrame::pathfile[200]

Definition at line 150 of file ising.h.

class PropFile IsingFrame::pf

Definition at line 144 of file ising.h.

int IsingFrame::plotfreq

Definition at line 129 of file ising.h.

Referenced by initparser().

int IsingFrame::printfreq

Definition at line 154 of file ising.h.

Referenced by initparser().

double IsingFrame::rotateangles[5]

Definition at line 128 of file ising.h.

Referenced by initparser().

int IsingFrame::savecn

Definition at line 152 of file ising.h.

Referenced by initparser().

int IsingFrame::savecnfreq

Definition at line 152 of file ising.h.

Referenced by initparser().

int IsingFrame::saveFFScn

Definition at line 113 of file ising.h.

Referenced by initparser().

int IsingFrame::saveprop

Definition at line 153 of file ising.h.

Referenced by initparser().

int IsingFrame::savepropfreq

Definition at line 153 of file ising.h.

Referenced by initparser().

int IsingFrame::step0

Definition at line 97 of file ising.h.

int IsingFrame::Stot

Definition at line 90 of file ising.h.

int IsingFrame::totalsteps

Definition at line 97 of file ising.h.

Referenced by initparser().

YWindow* IsingFrame::win

Definition at line 125 of file ising.h.

Referenced by exec(), and ~IsingFrame().

int IsingFrame::win_height

Definition at line 127 of file ising.h.

Referenced by initparser().

int IsingFrame::win_width

Definition at line 127 of file ising.h.

Referenced by initparser().

int IsingFrame::zipfiles

Definition at line 157 of file ising.h.

Referenced by initparser().

---

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

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