bake Namespace Reference

Functions that instantiate objects. To be used like constructors. More...

Functions
Lattice3D	BCTLattice (double a, double c)
	Returns a body-centered cubic (cI) lattice with edge length a. More...
Lattice3D	CubicLattice (double a)
	Returns a primitive cubic (cP) lattice with edge length a. More...
Lattice3D	FCCLattice (double a)
	Returns a face-centered cubic (cF) lattice with edge length a. More...
Lattice3D	HCPLattice (double a, double c)
	TODO: Clarify how this is meant: HCP is not a Bravais lattice. More...
Lattice3D	HexagonalLattice (double a, double c)
	Returns a primitive hexagonal (hP) lattice with hexagonal edge a and height c. More...
Lattice3D	TetragonalLattice (double a, double c)
	Returns a primitive tetragonal (tP) lattice with square base edge a and height c. More...

Detailed Description

Functions that instantiate objects. To be used like constructors.

Function Documentation

BCTLattice()

Lattice3D bake::BCTLattice	(	double	a,
		double	c
	)

Returns a body-centered cubic (cI) lattice with edge length a.

TODO: Clarify meaning of c

Definition at line 59 of file BakeLattice.cpp.

{
    kvector_t a1(a, 0.0, 0.0);
    kvector_t a2(0.0, a, 0.0);
    kvector_t a3(a / 2.0, a / 2.0, c / 2.0);
    return Lattice3D(a1, a2, a3);
}

CubicLattice()

Lattice3D bake::CubicLattice

(

double

a

)

Returns a primitive cubic (cP) lattice with edge length a.

Definition at line 18 of file BakeLattice.cpp.

{
    kvector_t a1(a, 0.0, 0.0);
    kvector_t a2(0.0, a, 0.0);
    kvector_t a3(0.0, 0.0, a);
    return Lattice3D(a1, a2, a3);
}

FCCLattice()

Lattice3D bake::FCCLattice

(

double

a

)

Returns a face-centered cubic (cF) lattice with edge length a.

Definition at line 26 of file BakeLattice.cpp.

{
    double b = a / 2.0;
    kvector_t a1(0.0, b, b);
    kvector_t a2(b, 0.0, b);
    kvector_t a3(b, b, 0.0);
    return Lattice3D(a1, a2, a3);
}

HCPLattice()

Lattice3D bake::HCPLattice	(	double	a,
		double	c
	)

TODO: Clarify how this is meant: HCP is not a Bravais lattice.

Definition at line 43 of file BakeLattice.cpp.

{
    kvector_t a1(a, 0.0, 0.0);
    kvector_t a2(-a / 2.0, std::sqrt(3.0) * a / 2.0, 0);
    kvector_t a3(a / 2.0, a / std::sqrt(3.0) / 2.0, c / 2.0);
    return Lattice3D(a1, a2, a3);
}

HexagonalLattice()

Lattice3D bake::HexagonalLattice	(	double	a,
		double	c
	)

Returns a primitive hexagonal (hP) lattice with hexagonal edge a and height c.

Definition at line 35 of file BakeLattice.cpp.

{
    kvector_t a1(a, 0.0, 0.0);
    kvector_t a2(-a / 2.0, std::sqrt(3.0) * a / 2.0, 0.0);
    kvector_t a3(0.0, 0.0, c);
    return Lattice3D(a1, a2, a3);
}

TetragonalLattice()

Lattice3D bake::TetragonalLattice	(	double	a,
		double	c
	)

Returns a primitive tetragonal (tP) lattice with square base edge a and height c.

Definition at line 51 of file BakeLattice.cpp.

{
    kvector_t a1(a, 0.0, 0.0);
    kvector_t a2(0.0, a, 0.0);
    kvector_t a3(0.0, 0.0, c);
    return Lattice3D(a1, a2, a3);
}