Derived struct for a Lennard Jones potential. More...

Data Fields
real_t	cutoff
	potential cutoff distance in Angstroms More...

real_t	mass
	mass of atoms in intenal units More...

real_t	lat
	lattice spacing (angs) of unit cell More...

char	latticeType [8]
	lattice type, e.g. More...

char	name [3]
	element name More...

int	atomicNo
	atomic number More...

int(*	force )(SimFlat *s)
	function pointer to force routine More...

void(*	print )(FILE file, BasePotential pot)

void(*	destroy )(BasePotential **pot)
	destruction of the potential More...

real_t	sigma

real_t	epsilon

Detailed Description

Derived struct for a Lennard Jones potential.

Polymorphic with BasePotential.

Definition at line 80 of file ljForce.c.

Field Documentation

int LjPotentialSt::atomicNo

atomic number

Definition at line 87 of file ljForce.c.

real_t LjPotentialSt::cutoff

potential cutoff distance in Angstroms

Definition at line 82 of file ljForce.c.

void(* LjPotentialSt::destroy)(BasePotential **pot)

destruction of the potential

Definition at line 90 of file ljForce.c.

real_t LjPotentialSt::epsilon

Definition at line 92 of file ljForce.c.

int(* LjPotentialSt::force)(SimFlat *s)

function pointer to force routine

Definition at line 88 of file ljForce.c.

real_t LjPotentialSt::lat

lattice spacing (angs) of unit cell

Definition at line 84 of file ljForce.c.

char LjPotentialSt::latticeType[8]

lattice type, e.g.

FCC, BCC, etc.

Definition at line 85 of file ljForce.c.

real_t LjPotentialSt::mass

mass of atoms in intenal units

Definition at line 83 of file ljForce.c.

char LjPotentialSt::name[3]

element name

Definition at line 86 of file ljForce.c.

void(* LjPotentialSt::print)(FILE *file, BasePotential *pot)

Definition at line 89 of file ljForce.c.

real_t LjPotentialSt::sigma

Definition at line 91 of file ljForce.c.

The documentation for this struct was generated from the following file: