My Documents/Codes/MD++.svn/trunk/src/relax.cpp File Reference

#include "general.h"
#include "scparser.h"

Go to the source code of this file.

Defines
#define	MAXLIN   5
#define	MXFCON   2
#define	MAXREPEAT   10
#define	MP_Sync()   {}
#define	MP_BeginMasterOnly()   {}
#define	MP_EndMasterOnly()   {}
#define	MP_Free(s)   free(s)
Functions
void	NumGrad (double(*func)(int, double *), int n, double *x, double *g)
void	CGRelax (void(*func)(int, double *, double *, double *), int n, double acc, int maxfn, double dfpred, double x[], double g[], double *f, double *buffer)
Variables
class MDFrame *	__conj_simframe
static double *	s
static double *	rss
static double *	rsg
static double *	ginit
static double *	xopt
static double *	gopt

---

Define Documentation

#define MAXLIN   5

Definition at line 29 of file relax.cpp.

Referenced by CGRelax().

#define MAXREPEAT   10

Definition at line 33 of file relax.cpp.

Referenced by CGRelax().

 

#define MP_BeginMasterOnly

(

)

{}

Definition at line 55 of file relax.cpp.

 

#define MP_EndMasterOnly

(

)

{}

Definition at line 56 of file relax.cpp.

#define MP_Free

(

s

)

free(s)

Definition at line 57 of file relax.cpp.

Referenced by CGRelax().

 

#define MP_Sync

(

)

{}

Definition at line 54 of file relax.cpp.

#define MXFCON   2

Definition at line 30 of file relax.cpp.

Referenced by CGRelax().

---

Function Documentation

void CGRelax	(	void(*)(int, double *, double *, double *)	func,
		int	n,
		double	acc,
		int	maxfn,
		double	dfpred,
		double	x[],
		double	g[],
		double *	f,
		double *	buffer
	)

Definition at line 81 of file relax.cpp.

References ginit, gopt, INFO_Printf, MAXLIN, MAXREPEAT, MP_Free, MXFCON, NULL, rsg, rss, s, MDFrame::step(), and xopt.

void NumGrad	(	double(*)(int, double *)	func,
		int	n,
		double *	x,
		double *	g
	)

Definition at line 59 of file relax.cpp.

---

Variable Documentation

class MDFrame* __conj_simframe

Definition at line 36 of file relax.cpp.

double * ginit [static]

Definition at line 43 of file relax.cpp.

Referenced by CGRelax().

double * gopt [static]

Definition at line 43 of file relax.cpp.

Referenced by CGRelax().

double * rsg [static]

Definition at line 43 of file relax.cpp.

Referenced by CGRelax().

double * rss [static]

Definition at line 43 of file relax.cpp.

Referenced by CGRelax().

double* s [static]

Definition at line 43 of file relax.cpp.

Referenced by SCParser::assignvar(), Organizer::assignvar(), FSParam::assignvar(), CGRelax(), Organizer::currentime(), YWindow::horizontalRot(), MDFrame::initparser(), LJBONDFrame::initparser(), IsingFrame::initparser(), LFile::LoadToString(), UnitCell::operator*(), RODSFrame::plot(), UnitCell::set(), YWindow::spinRot(), YWindow::verticalRot(), and Converter::writepdb().

double * xopt [static]

Definition at line 43 of file relax.cpp.

Referenced by CGRelax().