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Revert change to physical atom definition.
1 parent 376e4e3 commit 59d2b14

1 file changed

Lines changed: 2 additions & 8 deletions

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src/ghostly/_ghostly.py

Lines changed: 2 additions & 8 deletions
Original file line numberDiff line numberDiff line change
@@ -223,10 +223,7 @@ def modify(
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all_phys = []
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non_shared_bridge_phys = []
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for c in connectivity0.connections_to(b):
226-
if (
227-
not _is_ghost(mol, [c])[0]
228-
and not _is_ghost(mol, [c], is_lambda1=True)[0]
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):
226+
if not _is_ghost(mol, [c])[0]:
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all_phys.append(c)
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if c.value() not in shared_ghost_bridges:
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non_shared_bridge_phys.append(c)
@@ -256,10 +253,7 @@ def modify(
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all_phys = []
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non_shared_bridge_phys = []
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for c in connectivity1.connections_to(b):
259-
if (
260-
not _is_ghost(mol, [c])[0]
261-
and not _is_ghost(mol, [c], is_lambda1=True)[0]
262-
):
256+
if not _is_ghost(mol, [c], is_lambda1=True)[0]:
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all_phys.append(c)
264258
if c.value() not in shared_ghost_bridges:
265259
non_shared_bridge_phys.append(c)

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