5.31.2. io.traj.write_traj

eminus.io.traj.write_traj(obj, filename, fods=None, elec_symbols=('X', 'He'))

Generate TRAJ files from atoms objects.

TRAJ files are just multiple XYZ files appended to one file. See write_xyz() for more information about the XYZ file format.

Parameters:

• obj – Atoms or SCF object or list/tuple of these objects.

• filename – TRAJ output file path/name.

Keyword Arguments:

• fods – FOD coordinates to write.

• elec_symbols – Identifier for up and down FODs.