From 3823d088e187e4f9626c609026dd6129483e07ee Mon Sep 17 00:00:00 2001 From: naik-aakash Date: Mon, 16 Sep 2024 11:40:32 +0200 Subject: [PATCH] include unique atom pair bond stats --- src/lobsterpy/featurize/core.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/lobsterpy/featurize/core.py b/src/lobsterpy/featurize/core.py index a61bb7fb..2f9ad1ba 100644 --- a/src/lobsterpy/featurize/core.py +++ b/src/lobsterpy/featurize/core.py @@ -270,7 +270,7 @@ def get_lobsterpy_cba_dict( :param path_to_lobster_calc: path to lobsterpy lightweight json file :param bonds: "all" or "cation-anion" bonds :param orbital_resolved: bool indicating whether analysis is performed orbital wise - :param analysis_kwargs: additional keyword arguments to be passed to the Analysis class + :param analysis_kwargs: optional keyword arguments to be passed to the Analysis class Returns: Returns a dictionary with lobster summarized bonding analysis data