The main object in a pscf_cpc or pscf_cpg program is an instance of a class named System<D>, in which the integer template parameter D is the dimension of space. The value of D is specified by the argument of the "-d" command line option of the main program. Closely analogous class templates named System are defined in the Pscf::Cpc and Pscf::Cpg namespaces for use in pscf_cpc and pscf_cpg, respectively. Both of these analogous class templates are derived from partial specializations of a class template named Pscf::Cp::System, which defines a skeleton parameter file format that is used by both classes.

Class API Documentation:

Parameter file

The outermost block of the parameter file for pscf_cpc or pscf_cpg, which encloses all of the data in the file, is a block labelled "System". The format for this parameter file block (and thus for the entire parameter file) is shown in skeleton form below:

System{
  polymerModel* enumeration ("thread" or "bead", "thread" by default)
  Mixture{ ... }
  Interaction{ ... }
  Domain{ ... }
  Simulator#*{ ... }
}

Here, as elsewhere in this documentation, the suffixes # and * after a label denote selectable and optional elements, respectively. All relevant parameters and enclosed blocks are described below:

polymerModel	Specifies whether the continuous thread model (value "thread") or the discrete bead model (value "bead") of polymer conformations will be used for all polymer species throughout all calculations. (optional, "thread" by default)
Mixture	The Mixture block contains a description of all molecular species in a mixture, as described in detail here. (required)
Interaction	The Interaction block for a system described by the "standard model" of an incompressible polymer mixture. The matrix-valued "chi" parameter entry contains a list of distinct nonzero Flory-Huggins chi parameters, as discussed here. (required)
Domain	The Domain block contains information about the periodic unit cell, the computational mesh used to discretize fields in that cell, and space group group symmetry (if any), as described here. (required)
Simulator#*	The selectable Simulator block contains parameters for all of the algorithms that used to perform and analyze a complex-Langevin field theoretic simulation (CL-FTS).

Parameter file

See also: