diff --git a/src/mdevaluate/correlation.py b/src/mdevaluate/correlation.py index 32bdc00..862f43d 100644 --- a/src/mdevaluate/correlation.py +++ b/src/mdevaluate/correlation.py @@ -263,8 +263,7 @@ def van_hove_self( delta_r = np.abs(vectors[:, 2]) else: raise ValueError('Parameter axis has to be ether "all", "x", "y", or "z"!') - - hist = np.histogram(delta_r, bins)[0] + hist = np.histogram(delta_r, bins, range=(bins[0], bins[-1]))[0] r = (bins[1:] + bins[:-1]) / 2 return r, hist / len(start_frame)