.. _compiling--strategy: Move Strategies =============== Move strategies define the specific types of moves that are used in a move scheme, and set parameters on those moves. The following types are available: .. contents:: :local: .. _strategy--one-way-shooting: one-way-shooting ---------------- Use one-way-shooting moves in this move scheme. * **type** - type identifier; must exactly match the string ``one-way-shooting`` (required) * **name** (string) - name this object in order to reuse it * **selector** (:ref:`shooting-point-selector `) - shooting point selection algorithm to use. * **engine** (:ref:`engine `) - the engine for moves of this type (required) * **group** (string) - the group name for these movers * **replace** (bool) - whether this should replace existing objects (default True) .. _strategy--nearest-neighbor-repex: nearest-neighbor-repex ---------------------- Use replica exchange only between nearest-neighbor interfaces in this move scheme. * **type** - type identifier; must exactly match the string ``nearest-neighbor-repex`` (required) * **name** (string) - name this object in order to reuse it * **group** (string) - the group name for these movers * **replace** (bool) - whether this should replace existing objects (default True) .. _strategy--all-set-repex: all-set-repex ------------- Use replica exchange allowing swap attempts between any pair of ensembles within the same interface set. * **type** - type identifier; must exactly match the string ``all-set-repex`` (required) * **name** (string) - name this object in order to reuse it * **group** (string) - the group name for these movers * **replace** (bool) - whether this should replace existing objects (default True) .. _strategy--path-reversal: path-reversal ------------- Use path reversal moves in this move scheme. * **type** - type identifier; must exactly match the string ``path-reversal`` (required) * **name** (string) - name this object in order to reuse it * **group** (string) - the group name for these movers * **replace** (bool) - whether this should replace existing objects (default True) .. _strategy--minus: minus ----- Use the minus move in this move scheme. This strategy uses the M-shaped, or multiple interface set minus move, and always keeps a sample in the minus interface. * **type** - type identifier; must exactly match the string ``minus`` (required) * **name** (string) - name this object in order to reuse it * **engine** (:ref:`engine `) - the engine for moves of this type (required) * **group** (string) - the group name for these movers * **replace** (bool) - whether this should replace existing objects (default True) .. _strategy--single-replica-minus: single-replica-minus -------------------- Use the single-replica minus move in this move scheme. This strategy does not keep a replica in the minus ensemble; instead, that trajectory is only temporarily created during this move. This should not be used if there are multiple interface sets with the same initial state. * **type** - type identifier; must exactly match the string ``single-replica-minus`` (required) * **name** (string) - name this object in order to reuse it * **engine** (:ref:`engine `) - the engine for moves of this type (required) * **group** (string) - the group name for these movers * **replace** (bool) - whether this should replace existing objects (default True)