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lukasturcani committed Apr 26, 2021
1 parent d5f645b commit 168a360
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Showing 6 changed files with 13 additions and 15 deletions.
4 changes: 2 additions & 2 deletions src/stk/molecular/topology_graphs/cof/periodic_hexagonal.py
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Expand Up @@ -30,8 +30,8 @@ class PeriodicHexagonal(Cof):
| 6-functional groups: 0 to 3
| 2-functional groups: 4 to 15
Note that only :class:`.PeriodicCollapser` optimizes the
:class:`.PeriodicInfo`.
Note that optimizers may not optimize the :class:`.PeriodicInfo`.
The documentation of the optimizer will state if it does.
See :class:`.Cof` for more details and examples.
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4 changes: 2 additions & 2 deletions src/stk/molecular/topology_graphs/cof/periodic_honeycomb.py
Original file line number Diff line number Diff line change
Expand Up @@ -30,8 +30,8 @@ class PeriodicHoneycomb(Cof):
| 3-functional groups: 0 to 1
| 2-functional groups: 2 to 4
Note that only :class:`.PeriodicCollapser` optimizes the
:class:`.PeriodicInfo`.
Note that optimizers may not optimize the :class:`.PeriodicInfo`.
The documentation of the optimizer will state if it does.
See :class:`.Cof` for more details and examples.
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4 changes: 2 additions & 2 deletions src/stk/molecular/topology_graphs/cof/periodic_kagome.py
Original file line number Diff line number Diff line change
Expand Up @@ -30,8 +30,8 @@ class PeriodicKagome(Cof):
| 4-functional groups: 0 to 2
| 2-functional groups: 3 to 8
Note that only :class:`.PeriodicCollapser` optimizes the
:class:`.PeriodicInfo`.
Note that optimizers may not optimize the :class:`.PeriodicInfo`.
The documentation of the optimizer will state if it does.
See :class:`.Cof` for more details and examples.
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Original file line number Diff line number Diff line change
Expand Up @@ -29,8 +29,8 @@ class PeriodicLinkerlessHoneycomb(Cof):
| 3-functional groups: 0 to 1
Note that only :class:`.PeriodicCollapser` optimizes the
:class:`.PeriodicInfo`.
Note that optimizers may not optimize the :class:`.PeriodicInfo`.
The documentation of the optimizer will state if it does.
See :class:`.Cof` for more details and examples.
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10 changes: 3 additions & 7 deletions src/stk/molecular/topology_graphs/cof/periodic_square.py
Original file line number Diff line number Diff line change
Expand Up @@ -9,11 +9,7 @@
from ...reactions import GenericReactionFactory
from .cof import Cof
from .vertices import _LinearCofVertex, _NonLinearCofVertex
from ..topology_graph import (
Edge,
NullOptimizer,
PeriodicConstructionResult,
)
from ..topology_graph import Edge, NullOptimizer
from ...periodic_info import PeriodicInfo


Expand All @@ -33,8 +29,8 @@ class PeriodicSquare(Cof):
| 4-functional groups: 0
| 2-functional groups: 1 to 2
Note that only :class:`.PeriodicCollapser` optimizes the
:class:`.PeriodicInfo`.
Note that optimizers may not optimize the :class:`.PeriodicInfo`.
The documentation of the optimizer will state if it does.
See :class:`.Cof` for more details and examples.
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Original file line number Diff line number Diff line change
Expand Up @@ -14,6 +14,8 @@ class PeriodicCollapser(Optimizer):
"""
Performs rigid-body collapse of molecules [1]_.
This :class:`.Optimizer` will also update the `.PeriodicInfo`.
Examples
--------
*Structure Optimization*
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