IPKM/mdevaluate
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Switched to numpy histogram

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This commit is contained in:
Sebastian Kloth 2023-12-28 13:29:43 +01:00
parent 0dd6daa941
commit b4f9b98876
1 changed files with 2 additions and 2 deletions
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4
src/mdevaluate/correlation.py
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@ -8,7 +8,7 @@ from functools import partial
from scipy.spatial import KDTree from scipy.spatial import KDTree
from .autosave import autosave_data from .autosave import autosave_data
from .utils import coherent_sum, histogram from .utils import coherent_sum
from .pbc import pbc_diff, pbc_points from .pbc import pbc_diff, pbc_points
from .coordinates import Coordinates, CoordinateFrame, displacements_without_drift from .coordinates import Coordinates, CoordinateFrame, displacements_without_drift
@ -311,7 +311,7 @@ def van_hove_distinct(
) )
** 2 ** 2
).sum(axis=-1) ** 0.5 ).sum(axis=-1) ** 0.5
hist = histogram(dist, bins=bins)[0] hist = np.histogram(dist, bins=bins)[0]
return hist / N return hist / N