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Abstract Monte Carlo samplers.
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AbstractEnsembleMC Abstract class for Monte Carlo sampling algorithms simulating several ensembles. |
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AbstractExchangeMC Abstract class for Monte Carlo sampling algorithms employing some replica exchange method. |
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AbstractMC Abstract Monte Carlo sampler class. |
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AbstractPropagationResult Abstract class providing the interface for the result of a deterministic or stochastic propagation of a state. |
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AbstractRENS Abstract Replica Exchange with Nonequilibrium Switches (RENS, Ballard & Jarzynski 2009) class. |
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AbstractSingleChainMC Abstract class for Monte Carlo sampling algorithms simulating only one ensemble. |
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AbstractSwapCommunicator Holds all the information which needs to be communicated between distinct swap substeps. |
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AbstractSwapParameterInfo Subclass instances hold all parameters necessary for performing a swap between two given samplers. |
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AbstractSwapScheme Provides the interface for classes defining schemes according to which swaps in Replica Exchange-like simulations are performed. |
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AlternatingAdjacentSwapScheme Provides a swapping scheme in which tries exchanges between neighbours only following the scheme 1 <-> 2, 3 <-> 4, ... |
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MCCollection Collection of single-chain samplers. |
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MDRENSSwapParameterInfo Holds parameters for a MDRENS swap. |
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PropagationResult Describes the result of a deterministic or stochastic propagation of a state. |
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RENSSwapCommunicator Holds all the information which needs to be communicated between distinct RENS swap substeps. |
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RENSTrajInfo Holds information necessary for calculating a RENS trajectory. |
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RESwapCommunicator Holds all the information which needs to be communicated between distinct RE swap substeps. |
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RESwapParameterInfo Holds parameters for a standard Replica Exchange swap. |
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ShortTrajectoryBuilder | |
SimpleProposalCommunicator With the exception of the current state of the Markov chain, this holds all the information needed to calculate the acceptance probability in both the RWMCSampler and HMCSampler classes, that is, only the proposal state. |
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SingleSwapStatistics Tracks swap statistics of a single sampler pair. |
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SwapStatistics Tracks swap statistics for an AbstractExchangeMC subclass instance. |
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ThermostattedMDRENSSwapParameterInfo | |
Trajectory Ordered collection of states, representing a phase-space trajectory. |
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TrajectoryBuilder Allows to build a Trajectory object step by step. |
Variables | |
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