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[fix]: Improving docstrings in the commands module
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hentt30 committed May 14, 2021
1 parent 3dd77cf commit 7c301c2
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Showing 2 changed files with 5 additions and 5 deletions.
8 changes: 4 additions & 4 deletions minushalf/commands/correct_potfile.py
Original file line number Diff line number Diff line change
Expand Up @@ -21,15 +21,15 @@
type=click.Path(exists=True),
default="VTOTAL.ae",
show_default=True,
help="""Path relative to the pseudopotential
help="""Path relative to the potential
file generated by the atomic program for the
atom with all electrons.""")
@click.option('-o',
'--vtotal_occupied_path',
type=click.Path(exists=True),
default="VTOTAL_OCC",
show_default=True,
help="""Path relative to the pseudopotential
help="""Path relative to the potential
file generated by the atomic program for the
occupied atom.""")
@click.option(
Expand Down Expand Up @@ -90,9 +90,9 @@ def correct_potfile(
Requires:
VTOTAL.ae: pseudopotential of the atom with all electrons
VTOTAL.ae: potential of the atom with all electrons
VTOTAL_OCC: pseudopotential of the occupied atom
VTOTAL_OCC: potential of the occupied atom
INP_OCC: Input file for the run-atomic command of the occupied atom
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2 changes: 1 addition & 1 deletion minushalf/commands/fractional_occupation.py
Original file line number Diff line number Diff line change
Expand Up @@ -17,7 +17,7 @@
def occupation(orbital_quantum_number: str, occupation_percentage: str,
quiet: bool):
"""
Perform fractional occupation on the atom and generate the pseudopotential for this occupation.
Perform fractional occupation on the atom and generate the potential for this occupation.
The occupation can subtract any fraction of the electron between 0 and 0.5, half occupation is the default.
Requires:
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