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Unverified Commit ff1065ba authored by Gao, Xiang's avatar Gao, Xiang Committed by GitHub
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More cleanup (#176)

parent 56eba454
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torchani/aev.py
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...@@ -195,7 +195,7 @@ class AEVComputer(torch.nn.Module): ...@@ -195,7 +195,7 @@ class AEVComputer(torch.nn.Module):
cutoff radius are valid. The returned indices stores the source of data cutoff radius are valid. The returned indices stores the source of data
before sorting. before sorting.
""" """
max_cutoff = max([self.Rcr, self.Rca]) max_cutoff = max(self.Rcr, self.Rca)
species_, distances, vec = self.neighborlist(species, coordinates, species_, distances, vec = self.neighborlist(species, coordinates,
max_cutoff) max_cutoff)
radial_terms = self._radial_subaev_terms(distances) radial_terms = self._radial_subaev_terms(distances)
......
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