Commit c2505aad authored by Jason Swails's avatar Jason Swails
Browse files

``XXX`` -> :class:`XXX`

principle -> principal... I'm a bozo.
parent c2191b61
...@@ -1399,7 +1399,7 @@ normal distribution). ...@@ -1399,7 +1399,7 @@ normal distribution).
What this means is that the random numbers used by integrators and forces within What this means is that the random numbers used by integrators and forces within
OpenMM cannot have any discernible pattern to them. Patterns can be induced in OpenMM cannot have any discernible pattern to them. Patterns can be induced in
PRNGs in two principle ways: PRNGs in two principal ways:
1. The PRNG uses a bad algorithm with a short period. 1. The PRNG uses a bad algorithm with a short period.
2. Two PRNGs are started using the same seed 2. Two PRNGs are started using the same seed
...@@ -1421,23 +1421,24 @@ only within a single simulation, but between two different simulations of the ...@@ -1421,23 +1421,24 @@ only within a single simulation, but between two different simulations of the
same system as well (including any restarts of previous simulations). same system as well (including any restarts of previous simulations).
Every stochastic force and integrator that does (or could) make use of random Every stochastic force and integrator that does (or could) make use of random
numbers has two instance methods attached to it: ``getRandomNumberSeed()`` and numbers has two instance methods attached to it: :class:`getRandomNumberSeed()`
``setRandomNumberSeed(int seed)``. If you set a unique random seed for two and :class:`setRandomNumberSeed(int seed)`. If you set a unique random seed for
different simulations (or different forces/integrators if applicable), OpenMM two different simulations (or different forces/integrators if applicable),
guarantees that the generated sequences of random numbers will be different (by OpenMM guarantees that the generated sequences of random numbers will be
contrast, no guarantee is made that the same seed will result in identical different (by contrast, no guarantee is made that the same seed will result in
random number sequences). identical random number sequences).
Since breaking simulations up into pieces and/or running multiple replicates of Since breaking simulations up into pieces and/or running multiple replicates of
a system to obtain more complete statistics is common practice, a new strategy a system to obtain more complete statistics is common practice, a new strategy
has been employed for OpenMM versions 6.3 and later with the aim of trying to has been employed for OpenMM versions 6.3 and later with the aim of trying to
ensure that each simulation will be started with a unique random seed. A random ensure that each simulation will be started with a unique random seed. A random
seed value of 0 (the default) will cause a unique random seed to be generated seed value of 0 (the default) will cause a unique random seed to be generated
when a new ``Context`` is instantiated. when a new :class:`Context` is instantiated.
Prior to the introduction of this feature, deserializing a serialized Prior to the introduction of this feature, deserializing a serialized
``System`` XML file would result in each stochastic force or integrator being :class:`System` XML file would result in each stochastic force or integrator
assigned the same random seed as the original instance that was serialized. If being assigned the same random seed as the original instance that was
you use a ``System`` XML file generated by a version of OpenMM older than 6.3 serialized. If you use a :class:`System` XML file generated by a version of
to start a new simulation, you should manually set the random number seed of OpenMM older than 6.3 to start a new simulation, you should manually set the
each stochastic force or integrator to 0 (or another unique value). random number seed of each stochastic force or integrator to 0 (or another
unique value).
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