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orient command

Syntax:

orient dim i j k 

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 LAMMPS 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