cditemp.h

一个很好的分子动力学程序

#ifndef __CDITEMP_H
#define __CDITEMP_H


/*
************************************************************************
Include Files
************************************************************************
*/
#include "particle.h"
#include "cdsubs.h"

/*
************************************************************************
Function Prototypes
************************************************************************
*/
void InitialTemp 
	(
	Particle_t *, 
	Simulation_t *, 
	double, 
	BOOLEAN, 
	BOOLEAN, 
	int, 
	int, 
	int
	);


void SetVelocity
	(
	double (*Velocity)[NDIR],
	double  *Mass,
	SEL_T   *Select,
	int		NumPart,
	double	NewVelocity [NDIR]
	);

void SetAngularVelocity
	(
	double (*Coord   )[NDIR],
	double (*Velocity)[NDIR],
	double  *Mass,
	SEL_T   *Select,
	int		NumPart,
	double	NewAngVelocity [NDIR]
	);

#endif