From aa34d89594b1aaf89eef4a34a4659246e93e9fe7 Mon Sep 17 00:00:00 2001 From: Andrew Rosen Date: Sun, 14 Jan 2024 15:44:07 -0800 Subject: [PATCH] Fix docstring --- src/raspa_ase/calculator.py | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/src/raspa_ase/calculator.py b/src/raspa_ase/calculator.py index b3b8aec..936b39b 100644 --- a/src/raspa_ase/calculator.py +++ b/src/raspa_ase/calculator.py @@ -37,9 +37,8 @@ def __init__(self, binary: Path | str | None = None, **kwargs) -> None: Parameters ---------- - argv - The command line arguments to the RASPA executable. - This defaults to doing `${RASPA_DIR}/bin/simulate simulation.input` + binary + The binary to run RASPA. This defaults to doing `${RASPA_DIR}/bin/simulate` and typically does not need to be changed. Returns