add reference, alternate name

parent 11f27ac7
......@@ -59,14 +59,14 @@ can then lead to shooting moves that usually generate trajectories that
don't cross the interface, and therefore must be rejected. This uses a lot
of simulation effort without generating useful new trajectories.
Interface-constrained shooting [1]_ is an approach to solve
this problem. Instead of selecting from anywhere along the trajectory, only
the first point after crossing the interface is allowed as a shooting point.
This ensures that every trajectory that is generated will be valid (will
cross the interface). In addition, because the first crossing is still the
first crossing in the new trajectory, this leads to the Metropolis
acceptance probability also being 1. Therefore, every trial trajectory is
accepted.
Interface-constrained shooting (also called "constrained interface
shooting") [1]_ is an approach to solve this problem. Instead of selecting
from anywhere along the trajectory, only the first point after crossing the
interface is allowed as a shooting point. This ensures that every
trajectory that is generated will be valid (will cross the interface). In
addition, because the first crossing is still the first crossing in the new
trajectory, this leads to the Metropolis acceptance probability also being
1. Therefore, every trial trajectory is accepted.
In practice, this must be combined with the path reversal move in order to
sample all of trajectory space. The result is an approach with very high
......@@ -83,7 +83,9 @@ This module implements interface-constrained shooting using:
the first point outside the given volume (the boundary of which defines
the interface).
.. [1] TODO: Add citation here
.. [1] Bolhuis, P. G. (2008). Rare events via multiple reaction channels
sampled by path replica exchange. The Journal of Chemical Physics,
129(11), 114108. https://doi.org/10.1063/1.2976011
Background Information
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