Adjusted van_hove_self to better work with shifted_correlation

2023-12-18 17:02:22 +01:00 · 2023-12-18 17:02:22 +01:00 · 21dcc7641b
commit 21dcc7641b
parent e91defdc7a
1 changed files with 2 additions and 2 deletions
--- a/src/mdevaluate/correlation.py
+++ b/src/mdevaluate/correlation.py
@ -264,8 +264,8 @@ def van_hove_self(
    else:
        raise ValueError('Parameter axis has to be ether "all", "x", "y", or "z"!')
    hist = np.histogram(delta_r, bins, range=(bins[0], bins[-1]))[0]
-    r = (bins[1:] + bins[:-1]) / 2
-    return r, hist / len(start_frame)
+    hist = hist / (bins[1:] - bins[:-1])
+    return hist / len(start_frame)


 def van_hove_distinct(