orient command

Syntax:

orient dim i j k 

• dim = x or y or z
• i,j,k = orientation of lattice that is along box direction dim

Examples:

orient x 1 1 0
orient y -1 1 0
orient z 0 0 1 

Description:

Specify the orientation of a cubic lattice along simulation box directions x or y or z. These 3 basis vectors are used when the create_atoms command generates a lattice of atoms.

The 3 basis vectors B1, B2, B3 must be mutually orthogonal and form a right-handed system such that B1 cross B2 is in the direction of B3.

The basis vectors should be specified in an irreducible form (smallest possible integers), though LIGGGHTS(R)-PUBLIC does not check for this.

Restrictions: none

Related commands:

origin, create_atoms

Default:

orient x 1 0 0
orient y 0 1 0
orient z 0 0 1