Subsections


interatom.copy

Image dipole_pair Image list-add

Synopsis

Copy all data associated with a interatomic data container.

Defaults

interatom.copy(pipe_from=None, pipe_to=None, spin_id1=None, spin_id2=None)

Keyword arguments

pipe_from: The data pipe containing the interatomic data container from which the data will be copied. This defaults to the current data pipe.

pipe_to: The data pipe to copy the interatomic data container to. This defaults to the current data pipe.

spin_id1: The spin ID of the first spin.

spin_id2: The spin ID of the first spin.

Description

This will copy all the data associated with the identified interatomic data container to a different data pipe. The new interatomic data container must not already exist.

Prompt examples

To copy the interatomic data container between `:2@C' and `:2@H', from the `orig' data pipe to the current data pipe, type one of:

[numbers=none]
relax> interatom.copy('orig', spin_id1=':2@C', spin_id2=':2@H')

[numbers=none]
relax> interatom.copy(pipe_from='orig', spin_id1=':2@C', spin_id2=':2@H')


The relax user manual (PDF), created 2016-10-28.