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Formatting tweak. [ci skip]
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examples/README.md

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -103,14 +103,14 @@ When running the above command, you should see output similar to the following:
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2025-09-22 15:38:45.754 | DEBUG | ghostly._ghostly:modify:192 - ghosts: [25]
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2025-09-22 15:38:45.754 | DEBUG | ghostly._ghostly:modify:195 - physical: [22,26,27]
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2025-09-22 15:38:45.754 | DEBUG | ghostly._ghostly:modify:198 - type: 3
106-
2025-09-22 15:38:45.754 | DEBUG | ghostly._ghostly:_terminal:327 - Applying Boresch modifications to terminal ghost junction at λ = 0:
106+
2025-09-22 15:38:45.754 | DEBUG | ghostly._ghostly:_terminal:327 - Applying modifications to terminal ghost junction at λ = 0:
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2025-09-22 15:38:45.756 | DEBUG | ghostly._ghostly:_terminal:375 - Removing dihedral: [29-27-30-35], 0.155556 cos(3 phi) + 0.155556
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2025-09-22 15:38:45.756 | DEBUG | ghostly._ghostly:_terminal:375 - Removing dihedral: [29-27-30-36], 0.155556 cos(3 phi) + 0.155556
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2025-09-22 15:38:45.756 | DEBUG | ghostly._ghostly:_terminal:375 - Removing dihedral: [29-27-30-37], 0.155556 cos(3 phi) + 0.155556
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2025-09-22 15:38:45.756 | DEBUG | ghostly._ghostly:_terminal:375 - Removing dihedral: [28-27-30-35], 0.155556 cos(3 phi) + 0.155556
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2025-09-22 15:38:45.756 | DEBUG | ghostly._ghostly:_terminal:375 - Removing dihedral: [28-27-30-36], 0.155556 cos(3 phi) + 0.155556
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2025-09-22 15:38:45.756 | DEBUG | ghostly._ghostly:_terminal:375 - Removing dihedral: [28-27-30-37], 0.155556 cos(3 phi) + 0.155556
113-
2025-09-22 15:38:45.757 | DEBUG | ghostly._ghostly:_triple:666 - Applying Boresch modifications to triple ghost junction at λ = 1:
113+
2025-09-22 15:38:45.757 | DEBUG | ghostly._ghostly:_triple:666 - Applying modifications to triple ghost junction at λ = 1:
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2025-09-22 15:38:45.757 | DEBUG | ghostly._ghostly:_triple:787 - Non-planar junction.
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2025-09-22 15:38:45.758 | DEBUG | ghostly._ghostly:_triple:835 - Softening angle: [22-24-25], 46.9 [theta - 1.8984]^2 --> 0.05 [theta - 1.8984]^2
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2025-09-22 15:38:45.758 | DEBUG | ghostly._ghostly:_triple:835 - Softening angle: [25-24-26], 39.4 [theta - 1.87763]^2 --> 0.05 [theta - 1.87763]^2

src/ghostly/_ghostly.py

Lines changed: 9 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -46,7 +46,7 @@
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def modify(system, k_hard=100, k_soft=5, optimise_angles=True, num_optimise=10):
4848
"""
49-
Apply Boresch modifications to ghost atom bonded terms to avoid non-physical
49+
Apply modifications to ghost atom bonded terms to avoid non-physical
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coupling between the ghost atoms and the physical region.
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5252
Parameters
@@ -286,7 +286,7 @@ def modify(system, k_hard=100, k_soft=5, optimise_angles=True, num_optimise=10):
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287287
def _terminal(mol, bridge, ghosts, physical, is_lambda1=False):
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r"""
289-
Apply Boresch modifications to a terminal junction.
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Apply modifications to a terminal junction.
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An example terminal junction with three ghost branches. Here X is the
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physical bridge atom.
@@ -325,7 +325,7 @@ def _terminal(mol, bridge, ghosts, physical, is_lambda1=False):
325325
"""
326326

327327
_logger.debug(
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f"Applying Boresch modifications to terminal ghost junction at "
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f"Applying modifications to terminal ghost junction at "
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f"{_lam_sym} = {int(is_lambda1)}:"
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)
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@@ -387,7 +387,7 @@ def _terminal(mol, bridge, ghosts, physical, is_lambda1=False):
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388388
def _dual(mol, bridge, ghosts, physical, k_hard=100, is_lambda1=False):
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r"""
390-
Apply Boresch modifications to a dual junction.
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Apply modifications to a dual junction.
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An example dual junction with two ghost branches. Here X is the physical
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bridge atom.
@@ -430,7 +430,7 @@ def _dual(mol, bridge, ghosts, physical, k_hard=100, is_lambda1=False):
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"""
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432432
_logger.debug(
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f"Applying Boresch modifications to dual ghost junction at "
433+
f"Applying modifications to dual ghost junction at "
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f"{_lam_sym} = {int(is_lambda1)}:"
435435
)
436436

@@ -610,7 +610,7 @@ def _triple(
610610
is_lambda1=False,
611611
):
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r"""
613-
Apply Boresch modifications to a triple junction.
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Apply modifications to a triple junction.
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An example triple junction. Here X is the physical bridge atom.
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@@ -664,7 +664,7 @@ def _triple(
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"""
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666666
_logger.debug(
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f"Applying Boresch modifications to triple ghost junction at "
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f"Applying modifications to triple ghost junction at "
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f"{_lam_sym} = {int(is_lambda1)}:"
669669
)
670670

@@ -986,7 +986,7 @@ def _higher(
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is_lambda1=False,
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):
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r"""
989-
Apply Boresch modifications to higher order junctions.
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Apply modifications to higher order junctions.
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Parameters
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----------
@@ -1030,7 +1030,7 @@ def _higher(
10301030
"""
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10321032
_logger.debug(
1033-
f"Applying Boresch modifications to higher order junction at "
1033+
f"Applying modifications to higher order junction at "
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f"{_lam_sym} = {int(is_lambda1)}:"
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)
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