Added range for van Hove histogram

2023-12-13 13:49:47 +01:00 · 2023-12-13 13:49:47 +01:00 · e91defdc7a
commit e91defdc7a
parent 43ac510e7d
1 changed files with 1 additions and 2 deletions
--- 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)