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Update --matrix help message so users know what form it should be in
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kavanase committed Oct 27, 2023
1 parent 158b0e7 commit 3e219bb
Showing 1 changed file with 5 additions and 1 deletion.
6 changes: 5 additions & 1 deletion easyunfold/cli.py
Original file line number Diff line number Diff line change
Expand Up @@ -48,7 +48,11 @@ def easyunfold():
type=click.Choice(SUPPORTED_DFT_CODES),
show_default=True,
)
@click.option('--matrix', '-m', help='Transformation matrix')
@click.option('--matrix',
'-m',
help='Transformation matrix, in the form "x y z" for a diagonal matrix, '
'or "x1 y1 z1, x2 y2 z2, x3 y3 z3" for a 3x3 matrix. Automatically guessed if not '
'provided.')
@click.option('--symprec', help='Tolerance for determining the symmetry', type=float, default=1e-5, show_default=True)
@click.option('--out-file', '-o', default='easyunfold.json', help='Name of the output file')
@click.option('--no-expand', help='Do not expand the kpoints by symmetry', default=False, is_flag=True)
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