An instance of a class McSimulator<D> in namespace Pscf::Rpc (for pscf_pc) or Pscf::Rpg (for pscf_pg) contains all of the algorithms and objects that are needed to implement a partial saddle-point field theoretic simulation (PS-FTS) using Monte-Carlo sampling, but that are not needed for self-consistent field (SCFT) calculation. The associated parameter file block is one of two possible option (McSimulator or BdSimulator) for the optional, selectable "Simulator" subblock of the main System block of the parameter file.

Parameter File

The format of this parameter file block is given below in skeleton form:

McSimulator{
  seed* int
  McMoveManager#{ ... }
  Compressor#{ ... }
  Perturbation#*{ ... }
  Ramp#*{ ... }
  AnalyzerManager*{ ... }
}

Here, as elsewhere in this documentation, the suffixes # and * after a sub-block name denote selectable and optional elements, respectively. The only difference between the format of an McSimulator block and that of a BdSimulator block is the presence of an McMoveManager sub-block for an McSimulator where a BdStep sub-block would appear for a BdSimulator.

Each allowed element of a McSimulator block is described in more detail below:

seed*	Optional random seed, which must be a positive integer. If no seed is set, the random number generator will be initialized using a seed generated from the system clock. (optional)
McMoveManager*	The McMoveManager block contains a set of one or more McMove objects that describe Monte Carlo moves that will be used during an MC PS-FTS simulation. (optional)
Compressor#*	A Compressor is an iterative solver that adjusts the Lagrange multiplier chemical potential field in order to satisfy the incompressibility constraint, thus finding a partial-saddle point field condition. (selectable and optional)
Perturbation#*	An optional Perturbation block defines a perturbation or modification of the field theoretic Hamiltonian, as for, e.g., the Einstein crystal thermodynamic integration method. (selectable and optional)
Ramp#*	An optional Ramp block prescribes a continuous change in one or more system parameters during the course of a simulation, as used during continuous thermodynamic integration. Though this is coded as an optional selectable block, the only option that is currently implemented is a LinearRamp which prescribes a change in one or more parameters that change linearly with time (i.e., with the simulation step counter). (selectable and optional)
AnalyzerManager*	The optional AnalyzerManager block contains subblocks that initialize one or Analyzer objects, each of which implements a data analysis and/or data output operation that will be carried out periodically during a simulation (on-the-fly) or during analysis of a field trajectory file (postprocessing). (optional).

Relationships among blocks:

The McMoveManager and Compressor must both be present in order to perform an MC simulation (command SIMULATE). Both be omitted, however, from a parameter file used for postprocessing of a field trajectory file.
If an McMoveManager containing one or more MC moves is present, the Compressor block is required.
The Ramp block is only allowed if an McMoveManager and Compressor blocks are present.
The AnalyzerManager block must be present in order to postprocess a trajectory file (command ANALYZE).

Parameter File

See Also: