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Added min_cutoff so that donor and hydrogen are different
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Sumit112192 committed Jan 12, 2024
1 parent 92739d6 commit 8eac74a
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Original file line number Diff line number Diff line change
Expand Up @@ -650,6 +650,7 @@ def _get_dh_pairs(self):
donors.positions,
hydrogens.positions,
max_cutoff=self.d_h_cutoff,
min_cutoff=0.1,
box=self.u.dimensions,
return_distances=False
).T
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